A0A077Z926_TRITR Loading...

HTH AsnC-type and AsnC trans reg domain containin g protein

AlphaFold DB (Q329T2), UniProt , Accession A0A077Z926, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 152 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.1Very low86.4Confident229 Ų229104.8 Ų104.8100%1.12852%0.515SS*.  0122.50-73.3169.7-171.200106.3N3M1-N3 PolarHBondContact O-N 3.15Å
2E60.3Low87.4Confident200 Ų20097.1 Ų97.194%0.93548%0.483SS*.  trans-60.7122.4170.2-81.1178.5143.900108Y4E2-Y4 PolarHBondContact O-N 3.37Å; E2-Y4 VanDerWaalsContact O-N 3.17Å
3N76.6Confident88.2Confident145 Ų14589.6 Ų89.678%0.77545%0.446SS*.  trans-66.5115.5176.6-73.9-21.1000108.2M1 L5M1-N3 PolarHBondContact O-N 3.15Å; N3-L5 PolarHBondContact O-N 2.82Å; N3-L5 VanDerWaalsContact O-N 3.14Å
4Y90.1Very high88.9Confident64 Ų6484.1 Ų84.125%0.25142%0.419SS..  trans-60.7114.6170.1178.5-91.1000109.1E2 I6 D10 K45 M46 A49 I51E2-Y4 PolarHBondContact O-N 3.37Å; E2-Y4 VanDerWaalsContact O-N 3.17Å; Y4-I6 HydrophobicContact CD1-CG1 3.97Å; Y4-I6 HydrophobicContact CE1-CG1 4.04Å; Y4-I6 PolarHBondContact O-N 2.99Å; Y4-D10 VanDerWaalsContact CE1-OD2 3.22Å; Y4-D10 WeakPolarHBondContact CE1-OD2 3.43Å; Y4-D10 PolarHBondContact OH-OD1 3.3Å; Y4-D10 PolarHBondContact OH-OD2 3Å; Y4-K45 HydrophobicContact CD2-CB 4.37Å; Y4-K45 HydrophobicContact CE2-CB 3.67Å; Y4-K45 HydrophobicContact CE2-CD 3.99Å; Y4-K45 HydrophobicContact CE2-CG 4.38Å; Y4-M46 HydrophobicContact CD1-CG 4.41Å; Y4-M46 HydrophobicContact CE1-CG 3.83Å; Y4-A49 HydrophobicContact CG-CB 3.98Å; Y4-I51 HydrophobicContact CD1-CD1 3.73Å; Y4-I51 HydrophobicContact CG-CD1 4.43Å
5L92.5Very high89.4Confident156 Ų15687.7 Ų87.782%0.81743%0.433SS*.  trans-78.7110.8179.4-71170000109.8N3N3-L5 PolarHBondContact O-N 2.82Å; N3-L5 VanDerWaalsContact O-N 3.14Å
6I94.9Very high89.9Confident43 Ų4383.6 Ų83.622%0.22142%0.418CS..  trans-73.8126.2175.6-74.4-174.8000110.6Y4 D10 R11 L14 I51Y4-I6 HydrophobicContact CD1-CG1 3.97Å; Y4-I6 HydrophobicContact CE1-CG1 4.04Å; Y4-I6 PolarHBondContact O-N 2.99Å; I6-D10 HydrophobicContact CB-CB 4.31Å; I6-D10 HydrophobicContact CG1-CB 4.35Å; I6-D10 HydrophobicContact CG2-CB 3.74Å; I6-R11 HydrophobicContact CG2-CG 3.58Å; I6-R11 PolarHBondContact O-NH1 3.21Å; I6-R11 VanDerWaalsContact O-NH1 3.13Å; I6-L14 HydrophobicContact CD1-CD1 3.82Å; I6-I51 HydrophobicContact CD1-CD1 3.66Å; I6-I51 HydrophobicContact CD1-CG2 4.06Å; I6-I51 HydrophobicContact CG1-CD1 3.84Å
7D96.8Very high90.3Very high61 Ų6180.3 Ų80.333%0.32640%0.402SS..  trans-95.9-175.7169.269.819.2000112.7L9 D10 R11 R42D7-L9 VanDerWaalsContact C-N 3.29Å; D7-L9 PolarHBondContact O-N 3.46Å; D7-L9 WeakPolarHBondContact OD1-CB 3.46Å; D7-L9 PolarHBondContact OD1-N 3.05Å; D7-D10 PolarHBondContact O-N 3.28Å; D7-D10 PolarHBondContact OD1-N 3.39Å; D7-R11 PolarHBondContact O-N 3.31Å; D7-R11 VanDerWaalsContact O-N 3.12Å; D7-R11 PolarHBondContact O-NH1 3.41Å; D7-R42 IonicContact OD1-CZ 2.64Å; D7-R42 IonicContact OD1-NH1 2.74Å; D7-R42 PolarHBondContact OD1-NH1 2.85Å; D7-R42 IonicContact OD2-CZ 2.85Å; D7-R42 VanDerWaalsContact OD2-CZ 3.23Å; D7-R42 IonicContact OD2-NH1 2.75Å; D7-R42 PolarHBondContact OD2-NH1 3.27Å; D7-R42 IonicContact OD2-NH2 2.76Å; D7-R42 PolarHBondContact OD2-NH2 2.82Å
8N97Very high90.7Very high135 Ų13580.6 Ų80.672%0.72240%0.403SS*.Hα-helixtrans-67.6-28.8-178.8-69.3-22.4000113.2G12N8-G12 PolarHBondContact O-N 3.39Å; N8-G12 VanDerWaalsContact O-N 3.1Å
9L97.7Very high90.9Very high28 Ų2880 Ų8015%0.14742%0.42CS..Hα-helixtrans-68.6-44.7175.9175.962.3000109.8D7 R11 G12 I13 F32 V34 T38 I39 R42D7-L9 VanDerWaalsContact C-N 3.29Å; D7-L9 PolarHBondContact O-N 3.46Å; D7-L9 WeakPolarHBondContact OD1-CB 3.46Å; D7-L9 PolarHBondContact OD1-N 3.05Å; L9-R11 PolarHBondContact O-N 3.16Å; L9-G12 PolarHBondContact O-N 2.95Å; L9-I13 HydrophobicContact CD1-CD1 4.13Å; L9-I13 HydrophobicContact CD1-CG1 4.33Å; L9-I13 HydrophobicContact CG-CD1 3.92Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.43Å; L9-I13 PolarHBondContact O-N 2.86Å; L9-F32 HydrophobicContact CD1-CB 3.56Å; L9-F32 HydrophobicContact CD1-CD1 4.37Å; L9-F32 HydrophobicContact CD1-CD2 4.04Å; L9-F32 HydrophobicContact CD1-CG 3.74Å; L9-V34 HydrophobicContact CD1-CG2 4.44Å; L9-V34 HydrophobicContact CD2-CG1 4.22Å; L9-T38 HydrophobicContact CD2-CG2 4.27Å; L9-I39 HydrophobicContact CD1-CD1 4.23Å; L9-R42 HydrophobicContact CD2-CG 4.18Å
10D97.8Very high91.2Very high0 Ų080.1 Ų80.10%042%0.42CS..Hα-helixtrans-61-42.9177.4-68.9-22.5000111.6Y4 I6 D7 G12 I13 L14 R42 M46Y4-D10 VanDerWaalsContact CE1-OD2 3.22Å; Y4-D10 WeakPolarHBondContact CE1-OD2 3.43Å; Y4-D10 PolarHBondContact OH-OD1 3.3Å; Y4-D10 PolarHBondContact OH-OD2 3Å; I6-D10 HydrophobicContact CB-CB 4.31Å; I6-D10 HydrophobicContact CG1-CB 4.35Å; I6-D10 HydrophobicContact CG2-CB 3.74Å; D7-D10 PolarHBondContact O-N 3.28Å; D7-D10 PolarHBondContact OD1-N 3.39Å; D10-G12 PolarHBondContact O-N 3.02Å; D10-I13 PolarHBondContact O-N 3.25Å; D10-L14 WeakPolarHBondContact O-CG 3.3Å; D10-L14 PolarHBondContact O-N 3Å; D10-R42 WeakPolarHBondContact OD1-CB 3.37Å; D10-R42 WeakPolarHBondContact OD1-CD 3.43Å; D10-R42 WeakPolarHBondContact OD1-CG 3.36Å; D10-R42 IonicContact OD1-CZ 2.82Å; D10-R42 IonicContact OD1-NE 3.76Å; D10-R42 IonicContact OD1-NH1 3.93Å; D10-R42 PolarHBondContact OD1-NH1 2.83Å; D10-R42 IonicContact OD2-NH1 3.23Å; D10-R42 PolarHBondContact OD2-NH1 2.93Å; D10-M46 HydrophobicContact CB-CE 4.38Å; D10-M46 HydrophobicContact CB-SD 3.85Å
11R97.8Very high91.5Very high92 Ų9278.9 Ų78.935%0.34742%0.422SS..Hα-helixtrans-58.7-46.6173.3-71.7-175.8-179.580.33.4112.5I6 D7 L9 I13 L14 E15 P152I6-R11 HydrophobicContact CG2-CG 3.58Å; I6-R11 PolarHBondContact O-NH1 3.21Å; I6-R11 VanDerWaalsContact O-NH1 3.13Å; D7-R11 PolarHBondContact O-N 3.31Å; D7-R11 VanDerWaalsContact O-N 3.12Å; D7-R11 PolarHBondContact O-NH1 3.41Å; L9-R11 PolarHBondContact O-N 3.16Å; R11-I13 VanDerWaalsContact C-N 3.34Å; R11-I13 PolarHBondContact O-N 3.42Å; R11-L14 PolarHBondContact O-N 3.11Å; R11-E15 WeakPolarHBondContact O-CB 3.29Å; R11-E15 PolarHBondContact O-N 3.26Å; R11-P152 WeakPolarHBondContact CD-OXT 3.31Å; R11-P152 PolarHBondContact NE-OXT 2.76Å
12G97.7Very high93.8Very high12 Ų1277.9 Ų77.912%0.12441%0.406CS..Hα-helixtrans-63-39.5178.500000112.8N8 L9 D10 A16 F32N8-G12 PolarHBondContact O-N 3.39Å; N8-G12 VanDerWaalsContact O-N 3.1Å; L9-G12 PolarHBondContact O-N 2.95Å; D10-G12 PolarHBondContact O-N 3.02Å; G12-A16 WeakPolarHBondContact O-CB 3.3Å; G12-A16 PolarHBondContact O-N 2.75Å; G12-A16 VanDerWaalsContact O-N 3.1Å; G12-F32 WeakPolarHBondContact O-CZ 3.44Å
13I98Very high95.5Very high0 Ų069.4 Ų69.40%037%0.368CS..Hα-helixtrans-63.2-46.6174.1-68.6167.1000110.5L9 D10 R11 A16 L17 F32 I39 R42 V43 M46L9-I13 HydrophobicContact CD1-CD1 4.13Å; L9-I13 HydrophobicContact CD1-CG1 4.33Å; L9-I13 HydrophobicContact CG-CD1 3.92Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.43Å; L9-I13 PolarHBondContact O-N 2.86Å; D10-I13 PolarHBondContact O-N 3.25Å; R11-I13 VanDerWaalsContact C-N 3.34Å; R11-I13 PolarHBondContact O-N 3.42Å; I13-A16 PolarHBondContact O-N 2.63Å; I13-L17 HydrophobicContact CG2-CD1 3.72Å; I13-L17 HydrophobicContact CG2-CG 4.32Å; I13-L17 WeakPolarHBondContact O-CB 3.48Å; I13-L17 WeakPolarHBondContact O-CG 3.44Å; I13-L17 PolarHBondContact O-N 3.11Å; I13-F32 HydrophobicContact CG1-CD2 4.47Å; I13-F32 HydrophobicContact CG1-CE2 4.33Å; I13-I39 HydrophobicContact CD1-CD1 3.64Å; I13-I39 HydrophobicContact CD1-CG2 4.35Å; I13-I39 HydrophobicContact CG1-CD1 3.9Å; I13-R42 HydrophobicContact CD1-CB 3.72Å; I13-R42 HydrophobicContact CD1-CG 4.05Å; I13-V43 HydrophobicContact CG2-CG2 3.72Å; I13-M46 HydrophobicContact CB-CE 4.21Å; I13-M46 HydrophobicContact CG2-CE 3.83Å
14L97.8Very high96.5Very high13 Ų1365 Ų657%0.06835%0.352CS..Hα-helixtrans-61.4-48.5178.5-73172.1000111.4I6 D10 R11 A16 L17 M18 M46 I51 I52 P152I6-L14 HydrophobicContact CD1-CD1 3.82Å; D10-L14 WeakPolarHBondContact O-CG 3.3Å; D10-L14 PolarHBondContact O-N 3Å; R11-L14 PolarHBondContact O-N 3.11Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.17Å; L14-L17 PolarHBondContact O-N 3.02Å; L14-M18 HydrophobicContact CB-SD 4.25Å; L14-M18 WeakPolarHBondContact O-CB 3.5Å; L14-M18 WeakPolarHBondContact O-CG 3.46Å; L14-M18 PolarHBondContact O-N 3.07Å; L14-M46 HydrophobicContact CD1-SD 3.89Å; L14-M46 HydrophobicContact CD2-CE 4.31Å; L14-M46 HydrophobicContact CD2-SD 3.9Å; L14-M46 HydrophobicContact CG-CE 4.23Å; L14-M46 HydrophobicContact CG-SD 3.73Å; L14-I51 HydrophobicContact CD1-CG2 4.08Å; L14-I51 HydrophobicContact CD2-CG2 4.33Å; L14-I52 HydrophobicContact CD2-CD1 3.96Å; L14-I52 HydrophobicContact CD2-CG1 3.67Å; L14-P152 HydrophobicContact CB-CG 3.84Å; L14-P152 HydrophobicContact CD1-CB 4Å; L14-P152 HydrophobicContact CD1-CG 4.14Å
15E97.1Very high96.9Very high137 Ų13765.3 Ų65.364%0.6435%0.353SS*.Hα-helixtrans-57.6-44.6179.2-173.8172.7-161.800111.7R11 G19R11-E15 WeakPolarHBondContact O-CB 3.29Å; R11-E15 PolarHBondContact O-N 3.26Å; E15-G19 PolarHBondContact O-N 3.26Å
16A97.1Very high97.2Very high23 Ų2360.9 Ų60.919%0.1934%0.339CS..Hα-helixtrans-65.4-45.7177.900000112.6G12 I13 L14 G19 N20 L28G12-A16 WeakPolarHBondContact O-CB 3.3Å; G12-A16 PolarHBondContact O-N 2.75Å; G12-A16 VanDerWaalsContact O-N 3.1Å; I13-A16 PolarHBondContact O-N 2.63Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.17Å; A16-G19 PolarHBondContact O-N 2.93Å; A16-N20 PolarHBondContact O-N 3.3Å; A16-L28 HydrophobicContact CB-CD2 3.44Å; A16-L28 VanDerWaalsContact CB-CD2 3.44Å
17L97.6Very high97.3Very high27 Ų2764.5 Ų64.514%0.14136%0.355CS..Hα-helixtrans-74.7-28.1-178.3-67.7179.9000113.2I13 L14 G19 N20 A21 L28 V43I13-L17 HydrophobicContact CG2-CD1 3.72Å; I13-L17 HydrophobicContact CG2-CG 4.32Å; I13-L17 WeakPolarHBondContact O-CB 3.48Å; I13-L17 WeakPolarHBondContact O-CG 3.44Å; I13-L17 PolarHBondContact O-N 3.11Å; L14-L17 PolarHBondContact O-N 3.02Å; L17-G19 VanDerWaalsContact C-N 3.33Å; L17-N20 CarbonylContact O-C 3.5Å; L17-N20 VanDerWaalsContact O-C 3.28Å; L17-A21 WeakPolarHBondContact O-CA 3.36Å; L17-A21 PolarHBondContact O-N 3.31Å; L17-L28 HydrophobicContact CD2-CD1 3.96Å; L17-L28 HydrophobicContact CG-CD1 4.13Å; L17-V43 HydrophobicContact CD1-CG2 3.87Å
18M97Very high97.4Very high85 Ų8561.6 Ų61.642%0.41934%0.339SS..Hα-helixtrans-68.9-33172.1-73.6168.164.700111.5L14 T149 I150 P152L14-M18 HydrophobicContact CB-SD 4.25Å; L14-M18 WeakPolarHBondContact O-CB 3.5Å; L14-M18 WeakPolarHBondContact O-CG 3.46Å; L14-M18 PolarHBondContact O-N 3.07Å; M18-T149 HydrophobicContact CE-CG2 3.37Å; M18-I150 VanDerWaalsContact CE-O 3.27Å; M18-I150 WeakPolarHBondContact CE-O 3.29Å; M18-P152 HydrophobicContact SD-CG 4.09Å
19G95.1Very high97.4Very high70 Ų7055.3 Ų55.372%0.72231%0.306SS*.Hα-helixtrans-75.4-40.6172.600000113E15 A16 L17E15-G19 PolarHBondContact O-N 3.26Å; A16-G19 PolarHBondContact O-N 2.93Å; L17-G19 VanDerWaalsContact C-N 3.33Å
20N96.7Very high97.4Very high81 Ų8162.9 Ų62.943%0.43334%0.338SS..  trans-152.2103.1176-1805.3000111.5A16 L17 R22 T23A16-N20 PolarHBondContact O-N 3.3Å; L17-N20 CarbonylContact O-C 3.5Å; L17-N20 VanDerWaalsContact O-C 3.28Å; N20-R22 PolarHBondContact O-N 3.03Å; N20-R22 WeakPolarHBondContact OD1-CB 3.48Å; N20-R22 PolarHBondContact OD1-N 3.29Å; N20-T23 WeakPolarHBondContact CB-OG1 3.42Å; N20-T23 WeakPolarHBondContact O-CB 3.43Å; N20-T23 PolarHBondContact O-N 3.41Å; N20-T23 VanDerWaalsContact O-N 3.08Å; N20-T23 PolarHBondContact O-OG1 3.42Å
21A96.9Very high97.4Very high56 Ų5668.7 Ų68.746%0.46337%0.365SS..THydrogen-bonded Turntrans-64.2-12.4-18000000114.2L17 A55L17-A21 WeakPolarHBondContact O-CA 3.36Å; L17-A21 PolarHBondContact O-N 3.31Å; A21-A55 HydrophobicContact CB-CB 4.29Å
22R96.6Very high97.4Very high208 Ų20867.2 Ų67.279%0.78536%0.361SS*.THydrogen-bonded Turntrans-93.10.5177.4-62.1-172.7175.997-0.9113.7N20 A24N20-R22 PolarHBondContact O-N 3.03Å; N20-R22 WeakPolarHBondContact OD1-CB 3.48Å; N20-R22 PolarHBondContact OD1-N 3.29Å; R22-A24 PolarHBondContact O-N 3.33Å
23T96.9Very high97.3Very high21 Ų2170 Ų7013%0.12939%0.39CS..  trans-58.8124.3177.9-51.30000109.7N20 E27 L28N20-T23 WeakPolarHBondContact CB-OG1 3.42Å; N20-T23 WeakPolarHBondContact O-CB 3.43Å; N20-T23 PolarHBondContact O-N 3.41Å; N20-T23 VanDerWaalsContact O-N 3.08Å; N20-T23 PolarHBondContact O-OG1 3.42Å; T23-E27 HydrophobicContact CG2-CB 4.44Å; T23-E27 HydrophobicContact CG2-CG 4.47Å; T23-L28 HydrophobicContact CG2-CD2 3.73Å; T23-L28 HydrophobicContact CG2-CG 4.04Å
24A97.8Very high97.3Very high53 Ų5372.3 Ų72.344%0.43840%0.404SS..  trans-67.7138.9-173.700000110.7R22 A26 E27 L28R22-A24 PolarHBondContact O-N 3.33Å; A24-A26 PolarHBondContact O-N 2.98Å; A24-A26 VanDerWaalsContact O-N 3.14Å; A24-E27 HydrophobicContact CB-CB 4.46Å; A24-E27 WeakPolarHBondContact O-CA 3.35Å; A24-E27 VanDerWaalsContact O-CB 3.3Å; A24-E27 WeakPolarHBondContact O-CB 3.48Å; A24-E27 PolarHBondContact O-N 3.06Å; A24-L28 PolarHBondContact O-N 2.82Å
25Y98.1Very high97.3Very high70 Ų7074.4 Ų74.428%0.27542%0.42SS..Hα-helixtrans-61.2-27.7179-68.1-4000113.2E27 L28 A29 I39 H40 V43Y25-E27 VanDerWaalsContact C-N 3.3Å; Y25-E27 PolarHBondContact O-N 2.82Å; Y25-L28 HydrophobicContact CD1-CD1 4.33Å; Y25-A29 WeakPolarHBondContact O-CB 3.38Å; Y25-A29 PolarHBondContact O-N 3.01Å; Y25-I39 HydrophobicContact CD1-CG2 3.95Å; Y25-I39 HydrophobicContact CD2-CG2 4.37Å; Y25-I39 HydrophobicContact CG-CG2 3.86Å; Y25-H40 HydrophobicContact CD2-CB 3.97Å; Y25-H40 HydrophobicContact CE2-CB 4.09Å; Y25-H40 AromaticContact CE2-ND1 3.74Å; Y25-V43 HydrophobicContact CE1-CG2 4.22Å; Y25-V43 VanDerWaalsContact OH-CG1 3.29Å; Y25-V43 WeakPolarHBondContact OH-CG1 3.26Å
26A97.9Very high97.4Very high64 Ų6471.2 Ų71.253%0.52941%0.411SS..Hα-helixtrans-64.7-34.1173.200000112.7A24 K30A24-A26 PolarHBondContact O-N 2.98Å; A24-A26 VanDerWaalsContact O-N 3.14Å; A26-K30 PolarHBondContact O-N 3.2Å; A26-K30 VanDerWaalsContact O-N 3.13Å
27E97.9Very high97.4Very high118 Ų11872.1 Ų72.155%0.55142%0.422SS*.Hα-helixtrans-71.2-47.9176.6-173.6177.8173.700110.8T23 A24 Y25 A29 K30 Q31T23-E27 HydrophobicContact CG2-CB 4.44Å; T23-E27 HydrophobicContact CG2-CG 4.47Å; A24-E27 HydrophobicContact CB-CB 4.46Å; A24-E27 WeakPolarHBondContact O-CA 3.35Å; A24-E27 VanDerWaalsContact O-CB 3.3Å; A24-E27 WeakPolarHBondContact O-CB 3.48Å; A24-E27 PolarHBondContact O-N 3.06Å; Y25-E27 VanDerWaalsContact C-N 3.3Å; Y25-E27 PolarHBondContact O-N 2.82Å; E27-A29 VanDerWaalsContact C-N 3.29Å; E27-A29 PolarHBondContact O-N 3.13Å; E27-K30 PolarHBondContact O-N 2.57Å; E27-Q31 PolarHBondContact O-N 2.96Å
28L98Very high97.4Very high0 Ų073.2 Ų73.20%043%0.43CS..Hα-helixtrans-58.9-42174.5-60.4-179.4000111.6A16 L17 T23 A24 Y25 K30 Q31 F32 I39A16-L28 HydrophobicContact CB-CD2 3.44Å; A16-L28 VanDerWaalsContact CB-CD2 3.44Å; L17-L28 HydrophobicContact CD2-CD1 3.96Å; L17-L28 HydrophobicContact CG-CD1 4.13Å; T23-L28 HydrophobicContact CG2-CD2 3.73Å; T23-L28 HydrophobicContact CG2-CG 4.04Å; A24-L28 PolarHBondContact O-N 2.82Å; Y25-L28 HydrophobicContact CD1-CD1 4.33Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 2.96Å; L28-Q31 PolarHBondContact O-N 2.86Å; L28-F32 HydrophobicContact CB-CD2 4.33Å; L28-F32 HydrophobicContact CB-CE2 4.39Å; L28-F32 HydrophobicContact CD2-CE2 4.25Å; L28-F32 WeakPolarHBondContact O-CD2 3.26Å; L28-F32 PolarHBondContact O-N 2.89Å; L28-I39 HydrophobicContact CB-CD1 4.23Å; L28-I39 HydrophobicContact CB-CG1 4.24Å; L28-I39 HydrophobicContact CB-CG2 4.2Å; L28-I39 HydrophobicContact CD1-CG2 4.04Å
29A98.1Very high97.5Very high3 Ų369.2 Ų69.23%0.02541%0.41CS..Hα-helixtrans-58.8-45.4177.100000111.9Y25 E27 G33 V34 P36 I39Y25-A29 WeakPolarHBondContact O-CB 3.38Å; Y25-A29 PolarHBondContact O-N 3.01Å; E27-A29 VanDerWaalsContact C-N 3.29Å; E27-A29 PolarHBondContact O-N 3.13Å; A29-G33 PolarHBondContact O-N 2.75Å; A29-V34 CarbonylContact C-O 3.56Å; A29-V34 WeakPolarHBondContact CB-O 3.28Å; A29-V34 PolarHBondContact O-N 2.84Å; A29-P36 HydrophobicContact CB-CB 4.3Å; A29-P36 HydrophobicContact CB-CG 3.86Å; A29-I39 HydrophobicContact CB-CG1 3.96Å
30K97.8Very high97.7Very high187 Ų18770.3 Ų70.381%0.81340%0.396SS*.Hα-helixtrans-63.9-42.7174.8-176.5179177.1-176.60111.8A26 E27 L28A26-K30 PolarHBondContact O-N 3.2Å; A26-K30 VanDerWaalsContact O-N 3.13Å; E27-K30 PolarHBondContact O-N 2.57Å; L28-K30 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 2.96Å
31Q97.1Very high97.7Very high122 Ų12269.8 Ų69.857%0.5740%0.396SS*.Hα-helixtrans-62.5-41.6179.8-179.7178.4-14.300112.3E27 L28E27-Q31 PolarHBondContact O-N 2.96Å; L28-Q31 PolarHBondContact O-N 2.86Å
32F97.4Very high97.8Very high62 Ų6269.5 Ų69.527%0.27238%0.383SS..Hα-helixtrans-97.92.7-176.1-61-62.4000114.3L9 G12 I13 L28 V34 I39L9-F32 HydrophobicContact CD1-CB 3.56Å; L9-F32 HydrophobicContact CD1-CD1 4.37Å; L9-F32 HydrophobicContact CD1-CD2 4.04Å; L9-F32 HydrophobicContact CD1-CG 3.74Å; G12-F32 WeakPolarHBondContact O-CZ 3.44Å; I13-F32 HydrophobicContact CG1-CD2 4.47Å; I13-F32 HydrophobicContact CG1-CE2 4.33Å; L28-F32 HydrophobicContact CB-CD2 4.33Å; L28-F32 HydrophobicContact CB-CE2 4.39Å; L28-F32 HydrophobicContact CD2-CE2 4.25Å; L28-F32 WeakPolarHBondContact O-CD2 3.26Å; L28-F32 PolarHBondContact O-N 2.89Å; F32-V34 HydrophobicContact CB-CG2 4.34Å; F32-V34 PolarHBondContact O-N 2.85Å; F32-I39 HydrophobicContact CD2-CD1 4.34Å
33G97.5Very high97.8Very high70 Ų7059.8 Ų59.872%0.72235%0.346SS*.THydrogen-bonded Turntrans66.434.217800000114.2A29A29-G33 PolarHBondContact O-N 2.75Å
34V98Very high97.8Very high48 Ų4861.7 Ų61.729%0.29135%0.354SS..SBendtrans-125.2175.4179.5-61.60000111.3L9 A29 F32 T38 I39L9-V34 HydrophobicContact CD1-CG2 4.44Å; L9-V34 HydrophobicContact CD2-CG1 4.22Å; A29-V34 CarbonylContact C-O 3.56Å; A29-V34 WeakPolarHBondContact CB-O 3.28Å; A29-V34 PolarHBondContact O-N 2.84Å; F32-V34 HydrophobicContact CB-CG2 4.34Å; F32-V34 PolarHBondContact O-N 2.85Å; V34-T38 HydrophobicContact CB-CG2 4.2Å; V34-T38 HydrophobicContact CG2-CG2 4.42Å; V34-I39 HydrophobicContact CG2-CD1 3.46Å; V34-I39 VanDerWaalsContact CG2-CD1 3.46Å; V34-I39 HydrophobicContact CG2-CG1 3.83Å
35S97.8Very high97.8Very high58 Ų5864 Ų6441%0.40635%0.354SS..  trans-78.7151.4174.680.50000111.7G37 T38 I39S35-G37 PolarHBondContact O-N 3.45Å; S35-G37 PolarHBondContact OG-N 2.91Å; S35-T38 VanDerWaalsContact O-CB 3.29Å; S35-T38 WeakPolarHBondContact O-CB 3.31Å; S35-T38 PolarHBondContact O-N 2.95Å; S35-T38 PolarHBondContact OG-N 3.37Å; S35-T38 PolarHBondContact OG-OG1 2.93Å; S35-I39 PolarHBondContact O-N 3.07Å
36P97.6Very high97.8Very high70 Ų7060.6 Ų60.646%0.45534%0.341SS..Hα-helixtrans-56.2-33.1170.7-25.234.2000113.2A29 T38 I39 H40A29-P36 HydrophobicContact CB-CB 4.3Å; A29-P36 HydrophobicContact CB-CG 3.86Å; P36-T38 VanDerWaalsContact C-N 3.34Å; P36-I39 PolarHBondContact O-N 3.16Å; P36-H40 PolarHBondContact O-N 2.6Å
37G98Very high97.7Very high41 Ų4161.9 Ų61.942%0.42333%0.334SS..Hα-helixtrans-64.4-36.7174.100000112.7S35 H40 V41S35-G37 PolarHBondContact O-N 3.45Å; S35-G37 PolarHBondContact OG-N 2.91Å; G37-H40 PolarHBondContact O-N 3.08Å; G37-V41 VanDerWaalsContact O-CG2 3.31Å; G37-V41 WeakPolarHBondContact O-CG2 3.32Å; G37-V41 PolarHBondContact O-N 3.36Å
38T98.1Very high97.7Very high51 Ų5164 Ų6431%0.31334%0.344SS..Hα-helixtrans-62.1-48.9174.3-51.90000110.7L9 V34 S35 P36 H40 V41 R42L9-T38 HydrophobicContact CD2-CG2 4.27Å; V34-T38 HydrophobicContact CB-CG2 4.2Å; V34-T38 HydrophobicContact CG2-CG2 4.42Å; S35-T38 VanDerWaalsContact O-CB 3.29Å; S35-T38 WeakPolarHBondContact O-CB 3.31Å; S35-T38 PolarHBondContact O-N 2.95Å; S35-T38 PolarHBondContact OG-N 3.37Å; S35-T38 PolarHBondContact OG-OG1 2.93Å; P36-T38 VanDerWaalsContact C-N 3.34Å; T38-H40 VanDerWaalsContact C-N 3.34Å; T38-H40 PolarHBondContact O-N 2.93Å; T38-V41 PolarHBondContact O-N 2.86Å; T38-R42 WeakPolarHBondContact O-CG 3.4Å; T38-R42 PolarHBondContact O-N 2.84Å
39I98.4Very high97.6Very high0 Ų066.2 Ų66.20%036%0.363CS..Hα-helixtrans-57.9-47.6176.5-59-60.8000110.7L9 I13 Y25 L28 A29 F32 V34 S35 P36 V41 R42 V43L9-I39 HydrophobicContact CD1-CD1 4.23Å; I13-I39 HydrophobicContact CD1-CD1 3.64Å; I13-I39 HydrophobicContact CD1-CG2 4.35Å; I13-I39 HydrophobicContact CG1-CD1 3.9Å; Y25-I39 HydrophobicContact CD1-CG2 3.95Å; Y25-I39 HydrophobicContact CD2-CG2 4.37Å; Y25-I39 HydrophobicContact CG-CG2 3.86Å; L28-I39 HydrophobicContact CB-CD1 4.23Å; L28-I39 HydrophobicContact CB-CG1 4.24Å; L28-I39 HydrophobicContact CB-CG2 4.2Å; L28-I39 HydrophobicContact CD1-CG2 4.04Å; A29-I39 HydrophobicContact CB-CG1 3.96Å; F32-I39 HydrophobicContact CD2-CD1 4.34Å; V34-I39 HydrophobicContact CG2-CD1 3.46Å; V34-I39 VanDerWaalsContact CG2-CD1 3.46Å; V34-I39 HydrophobicContact CG2-CG1 3.83Å; S35-I39 PolarHBondContact O-N 3.07Å; P36-I39 PolarHBondContact O-N 3.16Å; I39-V41 PolarHBondContact O-N 3.48Å; I39-R42 PolarHBondContact O-N 2.85Å; I39-V43 HydrophobicContact CG2-CG2 4.43Å; I39-V43 WeakPolarHBondContact O-CG2 3.41Å; I39-V43 PolarHBondContact O-N 3.31Å
40H98.2Very high97.5Very high94 Ų9468.4 Ų68.444%0.43539%0.385SS..Hα-helixtrans-55.9-50.2178.2178.879.3000111.9Y25 P36 G37 T38 R42 V43 E44Y25-H40 HydrophobicContact CD2-CB 3.97Å; Y25-H40 HydrophobicContact CE2-CB 4.09Å; Y25-H40 AromaticContact CE2-ND1 3.74Å; P36-H40 PolarHBondContact O-N 2.6Å; G37-H40 PolarHBondContact O-N 3.08Å; T38-H40 VanDerWaalsContact C-N 3.34Å; T38-H40 PolarHBondContact O-N 2.93Å; H40-R42 VanDerWaalsContact C-N 3.34Å; H40-R42 PolarHBondContact O-N 2.85Å; H40-V43 PolarHBondContact O-N 2.66Å; H40-E44 WeakPolarHBondContact O-CG 3.28Å; H40-E44 PolarHBondContact O-N 3.32Å
41V97.9Very high97.4Very high70 Ų7062.7 Ų62.742%0.42436%0.363SS..Hα-helixtrans-61.8-40.3178.71710000111.7G37 T38 I39 E44 K45G37-V41 VanDerWaalsContact O-CG2 3.31Å; G37-V41 WeakPolarHBondContact O-CG2 3.32Å; G37-V41 PolarHBondContact O-N 3.36Å; T38-V41 PolarHBondContact O-N 2.86Å; I39-V41 PolarHBondContact O-N 3.48Å; V41-E44 PolarHBondContact O-N 3.37Å; V41-K45 HydrophobicContact CG1-CD 4.17Å; V41-K45 HydrophobicContact CG1-CG 4.43Å; V41-K45 WeakPolarHBondContact O-CB 3.22Å; V41-K45 VanDerWaalsContact O-CG 3.3Å; V41-K45 WeakPolarHBondContact O-CG 3.47Å; V41-K45 PolarHBondContact O-N 3.29Å
42R97.8Very high97.4Very high50 Ų5058.4 Ų58.419%0.18934%0.344CS..Hα-helixtrans-61.9-47.3176.4-68.8-46.5-170.4106.6-2.1111.8D7 L9 D10 I13 T38 I39 H40 E44 K45 M46D7-R42 IonicContact OD1-CZ 2.64Å; D7-R42 IonicContact OD1-NH1 2.74Å; D7-R42 PolarHBondContact OD1-NH1 2.85Å; D7-R42 IonicContact OD2-CZ 2.85Å; D7-R42 VanDerWaalsContact OD2-CZ 3.23Å; D7-R42 IonicContact OD2-NH1 2.75Å; D7-R42 PolarHBondContact OD2-NH1 3.27Å; D7-R42 IonicContact OD2-NH2 2.76Å; D7-R42 PolarHBondContact OD2-NH2 2.82Å; L9-R42 HydrophobicContact CD2-CG 4.18Å; D10-R42 WeakPolarHBondContact OD1-CB 3.37Å; D10-R42 WeakPolarHBondContact OD1-CD 3.43Å; D10-R42 WeakPolarHBondContact OD1-CG 3.36Å; D10-R42 IonicContact OD1-CZ 2.82Å; D10-R42 IonicContact OD1-NE 3.76Å; D10-R42 IonicContact OD1-NH1 3.93Å; D10-R42 PolarHBondContact OD1-NH1 2.83Å; D10-R42 IonicContact OD2-NH1 3.23Å; D10-R42 PolarHBondContact OD2-NH1 2.93Å; I13-R42 HydrophobicContact CD1-CB 3.72Å; I13-R42 HydrophobicContact CD1-CG 4.05Å; T38-R42 WeakPolarHBondContact O-CG 3.4Å; T38-R42 PolarHBondContact O-N 2.84Å; I39-R42 PolarHBondContact O-N 2.85Å; H40-R42 VanDerWaalsContact C-N 3.34Å; H40-R42 PolarHBondContact O-N 2.85Å; R42-E44 PolarHBondContact O-N 3.06Å; R42-K45 PolarHBondContact O-N 3.5Å; R42-M46 WeakPolarHBondContact O-CG 3.42Å; R42-M46 PolarHBondContact O-N 2.9Å
43V97.9Very high97.4Very high3 Ų360.9 Ų60.92%0.01836%0.364CS..Hα-helixtrans-61.1-45178.3173.30000111.2I13 L17 Y25 I39 H40 K45 M46 K47 I52I13-V43 HydrophobicContact CG2-CG2 3.72Å; L17-V43 HydrophobicContact CD1-CG2 3.87Å; Y25-V43 HydrophobicContact CE1-CG2 4.22Å; Y25-V43 VanDerWaalsContact OH-CG1 3.29Å; Y25-V43 WeakPolarHBondContact OH-CG1 3.26Å; I39-V43 HydrophobicContact CG2-CG2 4.43Å; I39-V43 WeakPolarHBondContact O-CG2 3.41Å; I39-V43 PolarHBondContact O-N 3.31Å; H40-V43 PolarHBondContact O-N 2.66Å; V43-K45 PolarHBondContact O-N 2.81Å; V43-M46 PolarHBondContact O-N 3.37Å; V43-K47 HydrophobicContact CG1-CD 4.35Å; V43-K47 HydrophobicContact CG1-CG 4.48Å; V43-K47 WeakPolarHBondContact O-CG 3.19Å; V43-K47 PolarHBondContact O-N 3.29Å; V43-I52 HydrophobicContact CG1-CD1 3.94Å
44E97.5Very high97.3Very high62 Ų6259.7 Ų59.729%0.2935%0.352SS..Hα-helixtrans-64.3-39.7178.2-69.6-53.5123.600112.4H40 V41 R42 M46 K47 Q48H40-E44 WeakPolarHBondContact O-CG 3.28Å; H40-E44 PolarHBondContact O-N 3.32Å; V41-E44 PolarHBondContact O-N 3.37Å; R42-E44 PolarHBondContact O-N 3.06Å; E44-M46 PolarHBondContact O-N 2.67Å; E44-K47 PolarHBondContact O-N 3.24Å; E44-K47 IonicContact OE1-NZ 3.17Å; E44-K47 PolarHBondContact OE1-NZ 3.24Å; E44-Q48 WeakPolarHBondContact O-CB 3.42Å; E44-Q48 WeakPolarHBondContact O-CG 2.92Å; E44-Q48 PolarHBondContact O-N 3.26Å
45K97.3Very high97.2Very high100 Ų10061.5 Ų61.544%0.43537%0.372SS..Hα-helixtrans-61.4-43.8172.9-74.6-179.3178.6-171.30112Y4 V41 R42 V43 K47 Q48 A49Y4-K45 HydrophobicContact CD2-CB 4.37Å; Y4-K45 HydrophobicContact CE2-CB 3.67Å; Y4-K45 HydrophobicContact CE2-CD 3.99Å; Y4-K45 HydrophobicContact CE2-CG 4.38Å; V41-K45 HydrophobicContact CG1-CD 4.17Å; V41-K45 HydrophobicContact CG1-CG 4.43Å; V41-K45 WeakPolarHBondContact O-CB 3.22Å; V41-K45 VanDerWaalsContact O-CG 3.3Å; V41-K45 WeakPolarHBondContact O-CG 3.47Å; V41-K45 PolarHBondContact O-N 3.29Å; R42-K45 PolarHBondContact O-N 3.5Å; V43-K45 PolarHBondContact O-N 2.81Å; K45-K47 VanDerWaalsContact C-N 3.34Å; K45-K47 PolarHBondContact O-N 3.12Å; K45-Q48 PolarHBondContact O-N 3.49Å; K45-A49 VanDerWaalsContact O-CB 3.31Å; K45-A49 WeakPolarHBondContact O-CB 3.25Å; K45-A49 PolarHBondContact O-N 2.64Å
46M97.3Very high97Very high0 Ų068.2 Ų68.20%039%0.388CS..Hα-helixtrans-67.3-31.9177.5-72.1-169.6-74.800113Y4 D10 I13 L14 R42 V43 E44 G50 I51 I52Y4-M46 HydrophobicContact CD1-CG 4.41Å; Y4-M46 HydrophobicContact CE1-CG 3.83Å; D10-M46 HydrophobicContact CB-CE 4.38Å; D10-M46 HydrophobicContact CB-SD 3.85Å; I13-M46 HydrophobicContact CB-CE 4.21Å; I13-M46 HydrophobicContact CG2-CE 3.83Å; L14-M46 HydrophobicContact CD1-SD 3.89Å; L14-M46 HydrophobicContact CD2-CE 4.31Å; L14-M46 HydrophobicContact CD2-SD 3.9Å; L14-M46 HydrophobicContact CG-CE 4.23Å; L14-M46 HydrophobicContact CG-SD 3.73Å; R42-M46 WeakPolarHBondContact O-CG 3.42Å; R42-M46 PolarHBondContact O-N 2.9Å; V43-M46 PolarHBondContact O-N 3.37Å; E44-M46 PolarHBondContact O-N 2.67Å; M46-G50 PolarHBondContact O-N 2.87Å; M46-I51 HydrophobicContact CB-CB 4.3Å; M46-I51 WeakPolarHBondContact O-CB 3.4Å; M46-I51 PolarHBondContact O-N 2.75Å; M46-I52 HydrophobicContact CB-CD1 3.84Å; M46-I52 HydrophobicContact CB-CG1 4.02Å; M46-I52 HydrophobicContact CE-CD1 4.09Å; M46-I52 PolarHBondContact O-N 3.48Å
47K97.1Very high96.9Very high90 Ų9070.8 Ų70.839%0.39140%0.397SS..Hα-helixtrans-66.7-48.1170.2-73.2175.2-177.1169.90111.7V43 E44 K45 A49 G50 I52V43-K47 HydrophobicContact CG1-CD 4.35Å; V43-K47 HydrophobicContact CG1-CG 4.48Å; V43-K47 WeakPolarHBondContact O-CG 3.19Å; V43-K47 PolarHBondContact O-N 3.29Å; E44-K47 PolarHBondContact O-N 3.24Å; E44-K47 IonicContact OE1-NZ 3.17Å; E44-K47 PolarHBondContact OE1-NZ 3.24Å; K45-K47 VanDerWaalsContact C-N 3.34Å; K45-K47 PolarHBondContact O-N 3.12Å; K47-A49 PolarHBondContact O-N 3.02Å; K47-G50 PolarHBondContact O-N 3.3Å; K47-I52 HydrophobicContact CG-CB 3.86Å; K47-I52 HydrophobicContact CG-CG2 3.9Å
48Q96.6Very high96.7Very high163 Ų16376.5 Ų76.576%0.76242%0.418SS*.Hα-helixtrans-60.9-33.8177.3-72.2174.92.600112E44 K45 G50E44-Q48 WeakPolarHBondContact O-CB 3.42Å; E44-Q48 WeakPolarHBondContact O-CG 2.92Å; E44-Q48 PolarHBondContact O-N 3.26Å; K45-Q48 PolarHBondContact O-N 3.49Å; Q48-G50 PolarHBondContact O-N 2.82Å
49A96.4Very high96.6Very high47 Ų4778.6 Ų78.639%0.38843%0.43SS..THydrogen-bonded Turntrans-75.6-4.9174.400000114.2Y4 K45 K47 I51Y4-A49 HydrophobicContact CG-CB 3.98Å; K45-A49 VanDerWaalsContact O-CB 3.31Å; K45-A49 WeakPolarHBondContact O-CB 3.25Å; K45-A49 PolarHBondContact O-N 2.64Å; K47-A49 PolarHBondContact O-N 3.02Å; A49-I51 VanDerWaalsContact C-N 3.26Å; A49-I51 HydrophobicContact CB-CD1 4.07Å; A49-I51 HydrophobicContact CB-CG1 4.05Å; A49-I51 PolarHBondContact O-N 3Å
50G96Very high96.5Very high48 Ų4881 Ų8150%0.49545%0.447SS..THydrogen-bonded Turntrans75.49.1-178.300000114.9M46 K47 Q48M46-G50 PolarHBondContact O-N 2.87Å; K47-G50 PolarHBondContact O-N 3.3Å; Q48-G50 PolarHBondContact O-N 2.82Å
51I96.3Very high96.4Very high67 Ų6778.7 Ų78.734%0.34444%0.441SS..SBendtrans-75.4-46.7179.3-59.4176.8000109.7Y4 I6 L14 M46 A49Y4-I51 HydrophobicContact CD1-CD1 3.73Å; Y4-I51 HydrophobicContact CG-CD1 4.43Å; I6-I51 HydrophobicContact CD1-CD1 3.66Å; I6-I51 HydrophobicContact CD1-CG2 4.06Å; I6-I51 HydrophobicContact CG1-CD1 3.84Å; L14-I51 HydrophobicContact CD1-CG2 4.08Å; L14-I51 HydrophobicContact CD2-CG2 4.33Å; M46-I51 HydrophobicContact CB-CB 4.3Å; M46-I51 WeakPolarHBondContact O-CB 3.4Å; M46-I51 PolarHBondContact O-N 2.75Å; A49-I51 VanDerWaalsContact C-N 3.26Å; A49-I51 HydrophobicContact CB-CD1 4.07Å; A49-I51 HydrophobicContact CB-CG1 4.05Å; A49-I51 PolarHBondContact O-N 3Å
52I97Very high96.2Very high32 Ų3282.4 Ų82.416%0.16445%0.451CS..  trans-92.6107.3170.3-62.4173.1000107.7L14 V43 M46 K47L14-I52 HydrophobicContact CD2-CD1 3.96Å; L14-I52 HydrophobicContact CD2-CG1 3.67Å; V43-I52 HydrophobicContact CG1-CD1 3.94Å; M46-I52 HydrophobicContact CB-CD1 3.84Å; M46-I52 HydrophobicContact CB-CG1 4.02Å; M46-I52 HydrophobicContact CE-CD1 4.09Å; M46-I52 PolarHBondContact O-N 3.48Å; K47-I52 HydrophobicContact CG-CB 3.86Å; K47-I52 HydrophobicContact CG-CG2 3.9Å
53T96.5Very high96.2Very high114 Ų11487.1 Ų87.170%0.69948%0.475SS*.  trans-88.9-11-177.158.50000113.6
54G95.2Very high96.2Very high46 Ų4691.6 Ų91.647%0.47450%0.499SS..  trans159.6-179.3176.700000112.9
55A95.4Very high96.1Very high86 Ų8689.7 Ų89.771%0.71150%0.496SS*.  trans-121.8122170.500000108.4A21A21-A55 HydrophobicContact CB-CB 4.29Å
56R94.6Very high96.2Very high198 Ų19888.9 Ų88.975%0.74749%0.491SS*.  trans-135.2161.2-173.1-60179.7-173.3153.92.4109.8
57I95.4Very high96.2Very high124 Ų12494.2 Ų94.264%0.63652%0.519SS*.  trans-90.6136.2167.456.9171.2000108.6V59I57-V59 HydrophobicContact CD1-CG1 4.42Å; I57-V59 HydrophobicContact CG1-CG1 4.47Å
58D94.9Very high96.2Very high162 Ų16290.5 Ų90.587%0.86650%0.504SS*.  trans-81.9130.6170.1-66.6-37.1000109.2
59V95.7Very high96.3Very high94 Ų9483.2 Ų83.257%0.5747%0.472SS*.  trans-111.3144177.5-63.10000109.3I57 P61 L64I57-V59 HydrophobicContact CD1-CG1 4.42Å; I57-V59 HydrophobicContact CG1-CG1 4.47Å; V59-P61 VanDerWaalsContact O-CD 3.29Å; V59-P61 WeakPolarHBondContact O-CD 3.22Å; V59-L64 HydrophobicContact CB-CD1 4.26Å; V59-L64 HydrophobicContact CG2-CD1 4.43Å
60S95.5Very high96.4Very high50 Ų5081 Ų8135%0.3545%0.454SS..  trans-88.7113.3172.5174.10000110K62 Q63 L64S60-K62 PolarHBondContact O-N 3.19Å; S60-Q63 PolarHBondContact O-N 3.49Å; S60-Q63 PolarHBondContact OG-N 2.75Å; S60-Q63 PolarHBondContact OG-OE1 3.08Å; S60-L64 PolarHBondContact O-N 3.08Å
61P95.9Very high96.5Very high47 Ų4781.6 Ų81.631%0.30544%0.443SS..THydrogen-bonded Turntrans-60.3-37.7177.1-23.235000111.9V59 Q63 L64 G65 Y66 M112V59-P61 VanDerWaalsContact O-CD 3.29Å; V59-P61 WeakPolarHBondContact O-CD 3.22Å; P61-Q63 PolarHBondContact O-N 2.93Å; P61-L64 CarbonylContact O-C 3.56Å; P61-L64 WeakPolarHBondContact O-CA 3.41Å; P61-L64 WeakPolarHBondContact O-CB 3.46Å; P61-L64 PolarHBondContact O-N 3.25Å; P61-G65 PolarHBondContact O-N 2.78Å; P61-Y66 HydrophobicContact CB-CD2 4.37Å; P61-Y66 HydrophobicContact CB-CG 4.32Å; P61-Y66 WeakPolarHBondContact O-CB 3.28Å; P61-Y66 PolarHBondContact O-N 3.23Å; P61-M112 HydrophobicContact CB-CE 3.84Å; P61-M112 HydrophobicContact CG-CE 4.43Å
62K95.1Very high96.6Very high147 Ų14778.4 Ų78.464%0.63943%0.427SS*.G310 helixtrans-60-44.9179.2-176.3176.1-178175.20111.9S60 L64 G65S60-K62 PolarHBondContact O-N 3.19Å; K62-L64 PolarHBondContact O-N 2.57Å; K62-G65 PolarHBondContact O-N 2.92Å; K62-G65 VanDerWaalsContact O-N 3.07Å
63Q96.4Very high96.7Very high150 Ų15076.9 Ų76.970%0.70142%0.419SS*.G310 helixtrans-69.4-18.3177.5-88.659.755.600113S60 P61 G65S60-Q63 PolarHBondContact O-N 3.49Å; S60-Q63 PolarHBondContact OG-N 2.75Å; S60-Q63 PolarHBondContact OG-OE1 3.08Å; P61-Q63 PolarHBondContact O-N 2.93Å; Q63-G65 VanDerWaalsContact C-N 3.32Å
64L97.5Very high96.8Very high96 Ų9671.4 Ų71.450%0.50339%0.386SS..G310 helixtrans-904.4173.2-64.4173.2000113V59 S60 P61 K62 Y66 R114V59-L64 HydrophobicContact CB-CD1 4.26Å; V59-L64 HydrophobicContact CG2-CD1 4.43Å; S60-L64 PolarHBondContact O-N 3.08Å; P61-L64 CarbonylContact O-C 3.56Å; P61-L64 WeakPolarHBondContact O-CA 3.41Å; P61-L64 WeakPolarHBondContact O-CB 3.46Å; P61-L64 PolarHBondContact O-N 3.25Å; K62-L64 PolarHBondContact O-N 2.57Å; L64-Y66 HydrophobicContact CB-CD2 3.98Å; L64-Y66 HydrophobicContact CB-CE2 4.17Å; L64-R114 PolarHBondContact O-NH1 3.38Å
65G97.2Very high97Very high23 Ų2371.9 Ų71.924%0.23738%0.377CS..THydrogen-bonded Turntrans81.623.4178.400000114.5P61 K62 Q63 D67 R114P61-G65 PolarHBondContact O-N 2.78Å; K62-G65 PolarHBondContact O-N 2.92Å; K62-G65 VanDerWaalsContact O-N 3.07Å; Q63-G65 VanDerWaalsContact C-N 3.32Å; G65-D67 VanDerWaalsContact C-N 3.34Å; G65-D67 PolarHBondContact O-N 3.14Å; G65-R114 VanDerWaalsContact O-CA 3.29Å; G65-R114 WeakPolarHBondContact O-CA 3.28Å; G65-R114 WeakPolarHBondContact O-CB 3.27Å; G65-R114 WeakPolarHBondContact O-CG 3.09Å
66Y98.1Very high97.1Very high82 Ų8268.2 Ų68.232%0.32235%0.345SS..  trans-86.378.8168.1-69.4-97.4000109.5P61 L64 V68 M112 C113P61-Y66 HydrophobicContact CB-CD2 4.37Å; P61-Y66 HydrophobicContact CB-CG 4.32Å; P61-Y66 WeakPolarHBondContact O-CB 3.28Å; P61-Y66 PolarHBondContact O-N 3.23Å; L64-Y66 HydrophobicContact CB-CD2 3.98Å; L64-Y66 HydrophobicContact CB-CE2 4.17Å; Y66-V68 VanDerWaalsContact C-N 3.31Å; Y66-M112 HydrophobicContact CD1-CB 3.8Å; Y66-M112 HydrophobicContact CE1-CB 4.31Å; Y66-C113 CarbonylContact C-O 3.54Å; Y66-C113 WeakPolarHBondContact CA-O 3.49Å
67D97.1Very high97.3Very high112 Ų11264 Ų6460%0.59933%0.332SS*.  trans-80.4-12.9-174.5-64.5-47.2000113.3G65 C113G65-D67 VanDerWaalsContact C-N 3.34Å; G65-D67 PolarHBondContact O-N 3.14Å; D67-C113 PolarHBondContact N-O 3.35Å
68V98.1Very high97.4Very high13 Ų1360.5 Ų60.58%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-123.698.3-178.7-176.80000110Y66 C113 S115 I116 L119Y66-V68 VanDerWaalsContact C-N 3.31Å; V68-C113 HydrophobicContact CB-CB 4.47Å; V68-C113 PolarHBondContact N-O 2.95Å; V68-C113 PolarHBondContact O-N 3.48Å; V68-C113 VanDerWaalsContact O-O 3.09Å; V68-S115 VanDerWaalsContact CG2-C 3.5Å; V68-I116 HydrophobicContact CG2-CG1 3.99Å; V68-L119 HydrophobicContact CG1-CB 4.29Å; V68-L119 HydrophobicContact CG1-CD2 3.77Å
69G98Very high97.4Very high9 Ų956.8 Ų56.89%0.09331%0.31CS..EExtended strand (participates in β ladder)trans-95.3140.916300000110.1V141G69-V141 VanDerWaalsContact O-CB 3.31Å; G69-V141 WeakPolarHBondContact O-CB 3.38Å; G69-V141 PolarHBondContact O-N 3.14Å
70C98.4Very high97.5Very high1 Ų160.3 Ų60.31%0.00732%0.318CS..EExtended strand (participates in β ladder)trans-143.6156.617363.10000111.8K110 V111 L119 T138 L139 I140C70-K110 WeakPolarHBondContact O-CA 3.44Å; C70-V111 PolarHBondContact N-O 3.46Å; C70-V111 PolarHBondContact O-N 2.93Å; C70-L119 HydrophobicContact CB-CD2 4.48Å; C70-L119 VanDerWaalsContact SG-CD1 3.5Å; C70-T138 HydrophobicContact CB-CG2 3.75Å; C70-L139 CarbonylContact C-O 3.5Å; C70-L139 VanDerWaalsContact CA-O 3.28Å; C70-L139 WeakPolarHBondContact CA-O 3.32Å; C70-L139 WeakPolarHBondContact CB-O 3.44Å; C70-I140 HydrophobicContact CB-CG1 4.4Å
71F98.8Very high97.7Very high60 Ų6059.4 Ų59.426%0.26331%0.309SS..EExtended strand (participates in β ladder)trans-100.3143.5162.4-65.2-85.9000109.4F108 I109 K110 T138 L139 V141F71-F108 HydrophobicContact CB-CE1 4.07Å; F71-F108 HydrophobicContact CB-CE2 3.92Å; F71-F108 HydrophobicContact CB-CZ 3.45Å; F71-F108 VanDerWaalsContact CB-CZ 3.45Å; F71-F108 HydrophobicContact CD1-CD1 4.38Å; F71-F108 AromaticContact CD1-CE1 3.54Å; F71-F108 HydrophobicContact CD1-CE1 3.54Å; F71-F108 AromaticContact CD1-CZ 3.82Å; F71-F108 HydrophobicContact CD1-CZ 3.82Å; F71-F108 HydrophobicContact CE1-CE1 4.25Å; F71-F108 HydrophobicContact CG-CE1 4.01Å; F71-F108 AromaticContact CG-CZ 3.79Å; F71-F108 HydrophobicContact CG-CZ 3.79Å; F71-I109 CarbonylContact C-O 3.53Å; F71-I109 WeakPolarHBondContact CA-O 3.48Å; F71-K110 HydrophobicContact CD1-CB 3.93Å; F71-K110 HydrophobicContact CD1-CG 4.17Å; F71-K110 HydrophobicContact CE1-CB 3.83Å; F71-K110 HydrophobicContact CE1-CD 3.92Å; F71-K110 HydrophobicContact CE1-CG 3.84Å; F71-K110 HydrophobicContact CZ-CD 4.09Å; F71-K110 HydrophobicContact CZ-CG 4.22Å; F71-T138 CarbonylContact O-C 3.44Å; F71-T138 WeakPolarHBondContact O-CA 3.21Å; F71-L139 HydrophobicContact CB-CB 4.44Å; F71-L139 PolarHBondContact N-O 3.13Å; F71-L139 PolarHBondContact O-N 3Å; F71-V141 HydrophobicContact CD2-CG2 4.05Å; F71-V141 HydrophobicContact CE2-CG2 3.94Å
72I98.6Very high97.8Very high0 Ų060.2 Ų60.20%031%0.307CS..EExtended strand (participates in β ladder)trans-127118.4178.2-54.3168.6000108.3I74 I109 V111 L123 I127 T136 E137 T138I72-I74 HydrophobicContact CG2-CG1 4.07Å; I72-I109 HydrophobicContact CB-CD1 4.18Å; I72-I109 HydrophobicContact CB-CG1 3.71Å; I72-I109 HydrophobicContact CD1-CD1 4.21Å; I72-I109 HydrophobicContact CD1-CG1 4.49Å; I72-I109 HydrophobicContact CG1-CG1 4.45Å; I72-I109 PolarHBondContact N-O 2.93Å; I72-I109 PolarHBondContact O-N 3.39Å; I72-V111 HydrophobicContact CD1-CB 4.27Å; I72-V111 HydrophobicContact CD1-CG2 3.7Å; I72-L123 HydrophobicContact CD1-CD2 3.67Å; I72-I127 HydrophobicContact CD1-CD1 3.75Å; I72-T136 HydrophobicContact CG2-CG2 4.19Å; I72-E137 CarbonylContact C-O 3.58Å; I72-E137 VanDerWaalsContact CA-O 3.32Å; I72-E137 WeakPolarHBondContact CA-O 3.3Å; I72-T138 HydrophobicContact CG1-CG2 4.02Å
73G98.7Very high97.9Very high0 Ų057.3 Ų57.30%030%0.303CS..EExtended strand (participates in β ladder)trans-81124.116500000109.7Y105 T136 E137G73-Y105 VanDerWaalsContact CA-CG 3.46Å; G73-T136 CarbonylContact O-C 3.28Å; G73-T136 WeakPolarHBondContact O-CA 3.44Å; G73-E137 PolarHBondContact N-O 3.25Å; G73-E137 PolarHBondContact O-N 3.17Å
74I98.7Very high98Very high0 Ų052.5 Ų52.50%029%0.286CS..EExtended strand (participates in β ladder)trans-109128.7-178.8-61.7175.8000108.8I72 L76 L89 S106 I107 I109 I133 T136I72-I74 HydrophobicContact CG2-CG1 4.07Å; I74-L76 HydrophobicContact CG2-CD2 3.81Å; I74-L76 HydrophobicContact CG2-CG 4.46Å; I74-L89 HydrophobicContact CD1-CD1 3.55Å; I74-L89 HydrophobicContact CD1-CD2 4.05Å; I74-L89 HydrophobicContact CD1-CG 4.45Å; I74-S106 PolarHBondContact O-N 3.41Å; I74-I107 HydrophobicContact CB-CB 4.17Å; I74-I107 HydrophobicContact CD1-CB 4.42Å; I74-I107 PolarHBondContact N-O 3.39Å; I74-I107 PolarHBondContact O-N 3.42Å; I74-I109 HydrophobicContact CD1-CD1 3.84Å; I74-I109 HydrophobicContact CD1-CG1 4.17Å; I74-I109 HydrophobicContact CD1-CG2 4.25Å; I74-I133 HydrophobicContact CD1-CD1 4.1Å; I74-I133 HydrophobicContact CG2-CB 4.45Å; I74-I133 HydrophobicContact CG2-CD1 3.76Å; I74-I133 HydrophobicContact CG2-CG1 3.73Å; I74-I133 HydrophobicContact CG2-CG2 4.11Å; I74-T136 HydrophobicContact CG1-CG2 4.44Å
75I98.5Very high98Very high56 Ų5648 Ų4829%0.28726%0.262SS..EExtended strand (participates in β ladder)trans-107.2120.9171.4-58.6172.3000107Y105 Q134 S135I75-Y105 HydrophobicContact CG1-CD1 4.11Å; I75-Q134 WeakPolarHBondContact O-CB 3.47Å; I75-Q134 PolarHBondContact O-N 2.72Å; I75-S135 PolarHBondContact N-O 3.33Å; I75-S135 PolarHBondContact O-N 3.45Å; I75-S135 VanDerWaalsContact O-N 3.16Å
76L98.6Very high98.1Very high8 Ų848.9 Ų48.94%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-87.3156.5177.9-59.2176.6000111.1I74 S78 D81 A85 S106 I107 E132 I133I74-L76 HydrophobicContact CG2-CD2 3.81Å; I74-L76 HydrophobicContact CG2-CG 4.46Å; L76-S78 PolarHBondContact O-N 2.98Å; L76-D81 HydrophobicContact CD1-CB 4.28Å; L76-A85 HydrophobicContact CD1-CB 4.11Å; L76-A85 HydrophobicContact CD2-CB 3.64Å; L76-S106 PolarHBondContact N-OG 3.38Å; L76-I107 HydrophobicContact CD1-CD1 4.36Å; L76-I107 HydrophobicContact CD1-CG1 4.48Å; L76-E132 CarbonylContact C-O 3.48Å; L76-E132 VanDerWaalsContact CA-O 3.28Å; L76-E132 WeakPolarHBondContact CA-O 3.33Å; L76-E132 HydrophobicContact CD2-CB 4.13Å; L76-E132 WeakPolarHBondContact CD2-O 3.29Å; L76-I133 HydrophobicContact CD2-CG1 3.88Å
77K98.2Very high98.1Very high111 Ų11147.8 Ų47.848%0.48327%0.269SS..SBendtrans-59.8-35.1172.7-66.5175.9179.6168.40111.4D131 E132 Q134K77-D131 VanDerWaalsContact CD-O 3.25Å; K77-D131 WeakPolarHBondContact CD-O 3.32Å; K77-D131 WeakPolarHBondContact CE-O 3.5Å; K77-D131 PolarHBondContact NZ-O 2.89Å; K77-D131 IonicContact NZ-OD1 3.04Å; K77-D131 PolarHBondContact NZ-OD1 2.99Å; K77-E132 PolarHBondContact N-O 2.76Å; K77-Q134 HydrophobicContact CG-CB 4.02Å
78S97.5Very high98.2Very high49 Ų4946.3 Ų46.334%0.34326%0.257SS..SBendtrans-146.3148.4173.7-165.80000112L76 K80 D81L76-S78 PolarHBondContact O-N 2.98Å; S78-K80 PolarHBondContact O-N 3.05Å; S78-D81 VanDerWaalsContact CB-OD2 3.27Å; S78-D81 WeakPolarHBondContact CB-OD2 3.29Å; S78-D81 PolarHBondContact N-OD2 3.36Å; S78-D81 VanDerWaalsContact N-OD2 3.08Å; S78-D81 VanDerWaalsContact O-CB 3.25Å; S78-D81 WeakPolarHBondContact O-CB 3.46Å; S78-D81 PolarHBondContact O-N 2.74Å; S78-D81 VanDerWaalsContact O-N 3.08Å
79A96.1Very high98.2Very high84 Ų8445.7 Ų45.769%0.69425%0.254SS*.G310 helixtrans-62-29.5-18000000113.7D81 Y82A79-D81 PolarHBondContact O-N 2.97Å; A79-Y82 PolarHBondContact O-N 3.05Å
80K97.3Very high98.2Very high168 Ų16853 Ų5373%0.7329%0.285SS*.G310 helixtrans-67.1-17.1177.470.5-178.4179.3174.20113.3S78 Y82 P83S78-K80 PolarHBondContact O-N 3.05Å; K80-Y82 PolarHBondContact O-N 2.78Å; K80-P83 VanDerWaalsContact O-CD 3.26Å; K80-P83 WeakPolarHBondContact O-CD 3.38Å
81D98.2Very high98.2Very high32 Ų3257 Ų5717%0.17131%0.314CS..G310 helixtrans-79.9-5.2-175.6-59-23.6000111.9L76 S78 A79 S84 A85 E132L76-D81 HydrophobicContact CD1-CB 4.28Å; S78-D81 VanDerWaalsContact CB-OD2 3.27Å; S78-D81 WeakPolarHBondContact CB-OD2 3.29Å; S78-D81 PolarHBondContact N-OD2 3.36Å; S78-D81 VanDerWaalsContact N-OD2 3.08Å; S78-D81 VanDerWaalsContact O-CB 3.25Å; S78-D81 WeakPolarHBondContact O-CB 3.46Å; S78-D81 PolarHBondContact O-N 2.74Å; S78-D81 VanDerWaalsContact O-N 3.08Å; A79-D81 PolarHBondContact O-N 2.97Å; D81-S84 PolarHBondContact O-N 3.19Å; D81-S84 PolarHBondContact O-OG 3.26Å; D81-A85 WeakPolarHBondContact O-CB 3.29Å; D81-A85 PolarHBondContact O-N 2.96Å; D81-E132 HydrophobicContact CB-CB 3.79Å; D81-E132 HydrophobicContact CB-CG 3.67Å
82Y98.4Very high98.1Very high63 Ų6355.3 Ų55.325%0.24731%0.307CS..Hα-helixtrans-50.8-50.7-179.4169.6-91.3000114A79 K80 S84 A85 L86 Y100 I107A79-Y82 PolarHBondContact O-N 3.05Å; K80-Y82 PolarHBondContact O-N 2.78Å; Y82-S84 PolarHBondContact O-N 3.24Å; Y82-A85 PolarHBondContact O-N 3.18Å; Y82-L86 HydrophobicContact CE1-CD2 4.09Å; Y82-L86 VanDerWaalsContact O-CB 3.32Å; Y82-L86 WeakPolarHBondContact O-CB 3.38Å; Y82-L86 PolarHBondContact O-N 3.43Å; Y82-L86 WeakPolarHBondContact OH-CD2 3.36Å; Y82-Y100 AromaticContact CD2-CD2 3.94Å; Y82-Y100 HydrophobicContact CD2-CD2 3.94Å; Y82-Y100 HydrophobicContact CD2-CE2 4.44Å; Y82-Y100 AromaticContact CE2-CD2 3.61Å; Y82-Y100 HydrophobicContact CE2-CD2 3.61Å; Y82-Y100 HydrophobicContact CE2-CG 4.37Å; Y82-Y100 AromaticContact CZ-CD2 3.99Å; Y82-I107 HydrophobicContact CD2-CD1 4.06Å; Y82-I107 HydrophobicContact CD2-CG1 3.67Å; Y82-I107 HydrophobicContact CE2-CD1 4.33Å; Y82-I107 HydrophobicContact CE2-CG1 3.87Å
83P98.1Very high98.1Very high86 Ų8662.9 Ų62.956%0.55835%0.348SS*.Hα-helixtrans-64.1-39.6-175.7-22.535.1000113.2K80 A87K80-P83 VanDerWaalsContact O-CD 3.26Å; K80-P83 WeakPolarHBondContact O-CD 3.38Å; P83-A87 PolarHBondContact O-N 3.1Å; P83-A87 VanDerWaalsContact O-N 3.14Å
84S98.1Very high98.1Very high50 Ų5065 Ų6535%0.3536%0.358SS..Hα-helixtrans-76.2-38-17961.90000112.1D81 Y82 A87 K88 E132D81-S84 PolarHBondContact O-N 3.19Å; D81-S84 PolarHBondContact O-OG 3.26Å; Y82-S84 PolarHBondContact O-N 3.24Å; S84-A87 PolarHBondContact O-N 3.08Å; S84-K88 WeakPolarHBondContact O-CG 3.27Å; S84-K88 PolarHBondContact O-N 2.88Å; S84-E132 VanDerWaalsContact CB-OE1 3.29Å; S84-E132 WeakPolarHBondContact CB-OE1 3.36Å; S84-E132 WeakPolarHBondContact OG-CG 3.49Å; S84-E132 PolarHBondContact OG-OE1 3.01Å
85A98.5Very high98.1Very high0 Ų066.2 Ų66.20%037%0.365CS..Hα-helixtrans-61.4-45.9172.800000111.5L76 D81 Y82 A87 K88 L89 I107 I130 E132L76-A85 HydrophobicContact CD1-CB 4.11Å; L76-A85 HydrophobicContact CD2-CB 3.64Å; D81-A85 WeakPolarHBondContact O-CB 3.29Å; D81-A85 PolarHBondContact O-N 2.96Å; Y82-A85 PolarHBondContact O-N 3.18Å; A85-A87 PolarHBondContact O-N 3.35Å; A85-K88 PolarHBondContact O-N 2.92Å; A85-L89 WeakPolarHBondContact O-CG 3.25Å; A85-L89 PolarHBondContact O-N 3.14Å; A85-I107 HydrophobicContact CB-CD1 3.97Å; A85-I130 HydrophobicContact CB-CG2 4.48Å; A85-E132 HydrophobicContact CB-CB 3.87Å; A85-E132 HydrophobicContact CB-CG 4.35Å
86L98.4Very high98.1Very high43 Ų4367.1 Ų67.123%0.22537%0.373CS..Hα-helixtrans-62.3-43.6179-176.964.9000112Y82 K88 L89 E90 A98 I107Y82-L86 HydrophobicContact CE1-CD2 4.09Å; Y82-L86 VanDerWaalsContact O-CB 3.32Å; Y82-L86 WeakPolarHBondContact O-CB 3.38Å; Y82-L86 PolarHBondContact O-N 3.43Å; Y82-L86 WeakPolarHBondContact OH-CD2 3.36Å; L86-K88 PolarHBondContact O-N 3.25Å; L86-L89 PolarHBondContact O-N 2.74Å; L86-L89 VanDerWaalsContact O-N 3.12Å; L86-E90 PolarHBondContact O-N 2.92Å; L86-A98 HydrophobicContact CD1-CB 3.87Å; L86-I107 HydrophobicContact CB-CD1 4.44Å
87A98.3Very high98.1Very high58 Ų5869.5 Ų69.548%0.47938%0.384SS..Hα-helixtrans-59.9-34.7177.600000112.7P83 S84 A85P83-A87 PolarHBondContact O-N 3.1Å; P83-A87 VanDerWaalsContact O-N 3.14Å; S84-A87 PolarHBondContact O-N 3.08Å; A85-A87 PolarHBondContact O-N 3.35Å
88K98.4Very high98.1Very high81 Ų8166.4 Ų66.435%0.35238%0.379SS..Hα-helixtrans-71.3-42.2174.4-69.6168.71801720111.3S84 A85 L86 E90 S91 I130 E132S84-K88 WeakPolarHBondContact O-CG 3.27Å; S84-K88 PolarHBondContact O-N 2.88Å; A85-K88 PolarHBondContact O-N 2.92Å; L86-K88 PolarHBondContact O-N 3.25Å; K88-E90 PolarHBondContact O-N 3.03Å; K88-S91 PolarHBondContact O-N 3.32Å; K88-S91 PolarHBondContact O-OG 2.96Å; K88-I130 HydrophobicContact CB-CD1 3.87Å; K88-I130 HydrophobicContact CB-CG1 4.08Å; K88-I130 HydrophobicContact CB-CG2 4.39Å; K88-I130 HydrophobicContact CD-CB 4.49Å; K88-I130 HydrophobicContact CD-CG1 4.34Å; K88-I130 HydrophobicContact CD-CG2 3.73Å; K88-E132 IonicContact NZ-OE1 3.94Å; K88-E132 PolarHBondContact NZ-OE1 3.04Å; K88-E132 IonicContact NZ-OE2 2.85Å; K88-E132 PolarHBondContact NZ-OE2 2.85Å
89L98.5Very high98.2Very high1 Ų169 Ų691%0.00538%0.382CS..Hα-helixtrans-63.9-38.2176.9-69.7166.1000112.7I74 A85 L86 S91 L92 I107 I109 I127 I130I74-L89 HydrophobicContact CD1-CD1 3.55Å; I74-L89 HydrophobicContact CD1-CD2 4.05Å; I74-L89 HydrophobicContact CD1-CG 4.45Å; A85-L89 WeakPolarHBondContact O-CG 3.25Å; A85-L89 PolarHBondContact O-N 3.14Å; L86-L89 PolarHBondContact O-N 2.74Å; L86-L89 VanDerWaalsContact O-N 3.12Å; L89-S91 PolarHBondContact O-N 3.32Å; L89-L92 HydrophobicContact CD2-CD1 4.39Å; L89-L92 WeakPolarHBondContact O-CB 3.35Å; L89-L92 PolarHBondContact O-N 3.18Å; L89-I107 HydrophobicContact CD1-CD1 3.76Å; L89-I107 HydrophobicContact CD1-CG2 4.34Å; L89-I109 HydrophobicContact CD1-CG2 4.28Å; L89-I109 HydrophobicContact CD2-CD1 4.14Å; L89-I127 HydrophobicContact CD2-CG1 4.38Å; L89-I127 HydrophobicContact CD2-CG2 4.37Å; L89-I130 HydrophobicContact CD2-CD1 3.69Å; L89-I130 HydrophobicContact CG-CD1 3.9Å
90E98.2Very high98.3Very high161 Ų16173.3 Ų73.375%0.75238%0.381SS*.Hα-helixtrans-61.6-25.8177.9-175.5174.2-161.900112.7L86 K88 L92L86-E90 PolarHBondContact O-N 2.92Å; K88-E90 PolarHBondContact O-N 3.03Å; E90-L92 PolarHBondContact O-N 3.13Å
91S97.6Very high98.3Very high87 Ų8767.8 Ų67.861%0.60836%0.362SS*.THydrogen-bonded Turntrans-78.6-2.1176.370.70000114.6K88 L89K88-S91 PolarHBondContact O-N 3.32Å; K88-S91 PolarHBondContact O-OG 2.96Å; L89-S91 PolarHBondContact O-N 3.32Å
92L98.4Very high98.2Very high24 Ų2473 Ų7313%0.12640%0.395CS..  trans-100.4109.7179.7-53.3-176.5000110.3L89 E90 E94 V95 K126 I127L89-L92 HydrophobicContact CD2-CD1 4.39Å; L89-L92 WeakPolarHBondContact O-CB 3.35Å; L89-L92 PolarHBondContact O-N 3.18Å; E90-L92 PolarHBondContact O-N 3.13Å; L92-E94 PolarHBondContact O-N 3.44Å; L92-E94 VanDerWaalsContact O-N 3.07Å; L92-V95 HydrophobicContact CB-CB 4.47Å; L92-V95 HydrophobicContact CB-CG2 3.83Å; L92-V95 HydrophobicContact CD1-CG2 4.28Å; L92-V95 WeakPolarHBondContact O-CB 3.49Å; L92-V95 PolarHBondContact O-N 2.92Å; L92-K126 HydrophobicContact CD1-CB 4.03Å; L92-K126 HydrophobicContact CD2-CB 4.2Å; L92-K126 HydrophobicContact CD2-CD 4.27Å; L92-I127 HydrophobicContact CD1-CG1 4Å
93D98.1Very high98.1Very high159 Ų15973.2 Ų73.285%0.8542%0.416SS*.THydrogen-bonded Turntrans-59-23.2179.8-69.2-31.9000113.7V95D93-V95 PolarHBondContact O-N 2.92Å
94E98.5Very high98Very high45 Ų4577.2 Ų77.221%0.2143%0.427CS..THydrogen-bonded Turntrans-69.4-23.6175.4-59.395161.300112.8L92 T96 V111 M112 V122 K126L92-E94 PolarHBondContact O-N 3.44Å; L92-E94 VanDerWaalsContact O-N 3.07Å; E94-T96 PolarHBondContact O-N 3.37Å; E94-V111 HydrophobicContact CB-CG1 3.85Å; E94-V111 CarbonylContact O-C 3.57Å; E94-V111 VanDerWaalsContact O-CA 3.22Å; E94-V111 WeakPolarHBondContact O-CA 3.44Å; E94-M112 PolarHBondContact O-N 2.89Å; E94-V122 HydrophobicContact CB-CG1 4.42Å; E94-V122 HydrophobicContact CB-CG2 4.48Å; E94-V122 HydrophobicContact CG-CG2 3.92Å; E94-K126 VanDerWaalsContact CD-NZ 3.3Å; E94-K126 IonicContact OE1-NZ 3.01Å; E94-K126 PolarHBondContact OE1-NZ 3.2Å; E94-K126 IonicContact OE2-NZ 2.63Å; E94-K126 PolarHBondContact OE2-NZ 3.49Å; E94-K126 VanDerWaalsContact OE2-NZ 3.17Å
95V98.6Very high98Very high24 Ų2477.1 Ų77.115%0.14542%0.419CS..EExtended strand (participates in β ladder)trans-83.7101.7178.5-177.30000109L92 D93 I109 V111L92-V95 HydrophobicContact CB-CB 4.47Å; L92-V95 HydrophobicContact CB-CG2 3.83Å; L92-V95 HydrophobicContact CD1-CG2 4.28Å; L92-V95 WeakPolarHBondContact O-CB 3.49Å; L92-V95 PolarHBondContact O-N 2.92Å; D93-V95 PolarHBondContact O-N 2.92Å; V95-I109 HydrophobicContact CG1-CB 4.16Å; V95-I109 HydrophobicContact CG1-CD1 4.35Å; V95-I109 HydrophobicContact CG1-CG2 4.37Å; V95-I109 HydrophobicContact CG2-CD1 4.15Å; V95-V111 HydrophobicContact CG2-CG2 4.05Å
96T98.2Very high97.9Very high75 Ų7578.5 Ų78.546%0.4643%0.429SS..EExtended strand (participates in β ladder)trans-90.4-23.3-175.557.10000113.9E94 K110 M112E94-T96 PolarHBondContact O-N 3.37Å; T96-K110 PolarHBondContact N-O 3.49Å; T96-K110 PolarHBondContact OG1-O 3.25Å; T96-M112 HydrophobicContact CG2-CB 4.14Å; T96-M112 HydrophobicContact CG2-CG 3.68Å
97E98.5Very high97.9Very high59 Ų5976.4 Ų76.428%0.27642%0.418SS..EExtended strand (participates in β ladder)trans-147146.4179.5-53.7169.1-158.300109.4Y99 I109 K110E97-Y99 HydrophobicContact CB-CD2 4.49Å; E97-Y99 HydrophobicContact CB-CE2 3.59Å; E97-Y99 HydrophobicContact CG-CE2 4.49Å; E97-Y99 WeakPolarHBondContact OE2-CE2 3.32Å; E97-Y99 PolarHBondContact OE2-OH 2.91Å; E97-I109 CarbonylContact O-C 3.55Å; E97-I109 VanDerWaalsContact O-CA 3.28Å; E97-I109 WeakPolarHBondContact O-CA 3.43Å; E97-I109 WeakPolarHBondContact O-CB 3.33Å; E97-K110 HydrophobicContact CB-CB 3.87Å; E97-K110 HydrophobicContact CG-CB 4.27Å; E97-K110 HydrophobicContact CG-CD 4.05Å; E97-K110 PolarHBondContact N-O 3.32Å; E97-K110 PolarHBondContact O-N 3.2Å; E97-K110 VanDerWaalsContact OE1-CD 3.22Å; E97-K110 WeakPolarHBondContact OE1-CD 3.2Å; E97-K110 IonicContact OE1-NZ 2.76Å; E97-K110 PolarHBondContact OE1-NZ 3.48Å
98A98.6Very high98Very high45 Ų4575.9 Ų75.937%0.37241%0.405SS..EExtended strand (participates in β ladder)trans-142.4137.9173.500000110.2L86 I109L86-A98 HydrophobicContact CD1-CB 3.87Å; A98-I109 HydrophobicContact CB-CG2 3.8Å
99Y98.6Very high98Very high104 Ų10472 Ų7241%0.40839%0.389SS..EExtended strand (participates in β ladder)trans-133.3140.3-173.6-57.3-82.3000110.9E97 F108E97-Y99 HydrophobicContact CB-CD2 4.49Å; E97-Y99 HydrophobicContact CB-CE2 3.59Å; E97-Y99 HydrophobicContact CG-CE2 4.49Å; E97-Y99 WeakPolarHBondContact OE2-CE2 3.32Å; E97-Y99 PolarHBondContact OE2-OH 2.91Å; Y99-F108 HydrophobicContact CD2-CD1 4.36Å; Y99-F108 WeakPolarHBondContact CD2-O 3.26Å; Y99-F108 PolarHBondContact N-O 3.35Å; Y99-F108 PolarHBondContact O-N 3.47Å
100Y98.2Very high98Very high174 Ų17474 Ų7468%0.68240%0.397SS*.  trans-95.2114.5162.1-176.7-95.1000108.1Y82Y82-Y100 AromaticContact CD2-CD2 3.94Å; Y82-Y100 HydrophobicContact CD2-CD2 3.94Å; Y82-Y100 HydrophobicContact CD2-CE2 4.44Å; Y82-Y100 AromaticContact CE2-CD2 3.61Å; Y82-Y100 HydrophobicContact CE2-CD2 3.61Å; Y82-Y100 HydrophobicContact CE2-CG 4.37Å; Y82-Y100 AromaticContact CZ-CD2 3.99Å
101T97.4Very high98Very high52 Ų5266.4 Ų66.432%0.31936%0.361SS..  trans-121.3160.1-171.663.80000111.1F108T101-F108 HydrophobicContact CG2-CB 4.09Å
102T97.1Very high98.1Very high142 Ų14263.6 Ų63.687%0.87134%0.339SS*.SBendtrans-70.4163.4159.855.30000109.7
103G95.1Very high98.1Very high67 Ų6762.7 Ų62.769%0.69134%0.335SS*.SBendtrans107.5-151178.700000113.1
104H96.2Very high98.1Very high170 Ų17061.8 Ų61.879%0.78732%0.32SS*.SBendtrans-84.3-23.6-167.2-61.7-67.1000114.8
105Y98.1Very high98.1Very high48 Ų4862 Ų6219%0.18833%0.326CS..  trans-97.1141.3-171.8-50-56000111.5G73 I75 F108 E137G73-Y105 VanDerWaalsContact CA-CG 3.46Å; I75-Y105 HydrophobicContact CG1-CD1 4.11Å; Y105-F108 AromaticContact CD2-CD2 3.95Å; Y105-F108 HydrophobicContact CD2-CD2 3.95Å; Y105-F108 HydrophobicContact CD2-CE2 4.49Å; Y105-F108 HydrophobicContact CE2-CD2 4.36Å; Y105-F108 HydrophobicContact CE2-CE2 4.47Å; Y105-E137 HydrophobicContact CE1-CB 4.14Å; Y105-E137 WeakPolarHBondContact CE1-OE2 3.31Å; Y105-E137 PolarHBondContact OH-OE2 2.92Å
106S97.7Very high98Very high29 Ų2966.1 Ų66.120%0.20335%0.346CS..SBendtrans-73.7-34.2172.9-49.20000111.9I74 L76I74-S106 PolarHBondContact O-N 3.41Å; L76-S106 PolarHBondContact N-OG 3.38Å
107I98.6Very high98Very high0 Ų068.6 Ų68.60%036%0.356CS..EExtended strand (participates in β ladder)trans-140.4136.5175.5-45.6178.7000107.8I74 L76 Y82 A85 L86 L89 I109I74-I107 HydrophobicContact CB-CB 4.17Å; I74-I107 HydrophobicContact CD1-CB 4.42Å; I74-I107 PolarHBondContact N-O 3.39Å; I74-I107 PolarHBondContact O-N 3.42Å; L76-I107 HydrophobicContact CD1-CD1 4.36Å; L76-I107 HydrophobicContact CD1-CG1 4.48Å; Y82-I107 HydrophobicContact CD2-CD1 4.06Å; Y82-I107 HydrophobicContact CD2-CG1 3.67Å; Y82-I107 HydrophobicContact CE2-CD1 4.33Å; Y82-I107 HydrophobicContact CE2-CG1 3.87Å; A85-I107 HydrophobicContact CB-CD1 3.97Å; L86-I107 HydrophobicContact CB-CD1 4.44Å; L89-I107 HydrophobicContact CD1-CD1 3.76Å; L89-I107 HydrophobicContact CD1-CG2 4.34Å; I107-I109 HydrophobicContact CG2-CG2 3.58Å
108F98.7Very high98Very high47 Ų4767.4 Ų67.421%0.20636%0.357CS..EExtended strand (participates in β ladder)trans-116.8114.8172.5-170.7-109.8000109.1F71 Y99 T101 Y105F71-F108 HydrophobicContact CB-CE1 4.07Å; F71-F108 HydrophobicContact CB-CE2 3.92Å; F71-F108 HydrophobicContact CB-CZ 3.45Å; F71-F108 VanDerWaalsContact CB-CZ 3.45Å; F71-F108 HydrophobicContact CD1-CD1 4.38Å; F71-F108 AromaticContact CD1-CE1 3.54Å; F71-F108 HydrophobicContact CD1-CE1 3.54Å; F71-F108 AromaticContact CD1-CZ 3.82Å; F71-F108 HydrophobicContact CD1-CZ 3.82Å; F71-F108 HydrophobicContact CE1-CE1 4.25Å; F71-F108 HydrophobicContact CG-CE1 4.01Å; F71-F108 AromaticContact CG-CZ 3.79Å; F71-F108 HydrophobicContact CG-CZ 3.79Å; Y99-F108 HydrophobicContact CD2-CD1 4.36Å; Y99-F108 WeakPolarHBondContact CD2-O 3.26Å; Y99-F108 PolarHBondContact N-O 3.35Å; Y99-F108 PolarHBondContact O-N 3.47Å; T101-F108 HydrophobicContact CG2-CB 4.09Å; Y105-F108 AromaticContact CD2-CD2 3.95Å; Y105-F108 HydrophobicContact CD2-CD2 3.95Å; Y105-F108 HydrophobicContact CD2-CE2 4.49Å; Y105-F108 HydrophobicContact CE2-CD2 4.36Å; Y105-F108 HydrophobicContact CE2-CE2 4.47Å
109I98.8Very high98Very high0 Ų065.5 Ų65.50%034%0.34CS..EExtended strand (participates in β ladder)trans-117159.9-17466.4169.7000112F71 I72 I74 L89 V95 E97 A98 I107 V111 I127F71-I109 CarbonylContact C-O 3.53Å; F71-I109 WeakPolarHBondContact CA-O 3.48Å; I72-I109 HydrophobicContact CB-CD1 4.18Å; I72-I109 HydrophobicContact CB-CG1 3.71Å; I72-I109 HydrophobicContact CD1-CD1 4.21Å; I72-I109 HydrophobicContact CD1-CG1 4.49Å; I72-I109 HydrophobicContact CG1-CG1 4.45Å; I72-I109 PolarHBondContact N-O 2.93Å; I72-I109 PolarHBondContact O-N 3.39Å; I74-I109 HydrophobicContact CD1-CD1 3.84Å; I74-I109 HydrophobicContact CD1-CG1 4.17Å; I74-I109 HydrophobicContact CD1-CG2 4.25Å; L89-I109 HydrophobicContact CD1-CG2 4.28Å; L89-I109 HydrophobicContact CD2-CD1 4.14Å; V95-I109 HydrophobicContact CG1-CB 4.16Å; V95-I109 HydrophobicContact CG1-CD1 4.35Å; V95-I109 HydrophobicContact CG1-CG2 4.37Å; V95-I109 HydrophobicContact CG2-CD1 4.15Å; E97-I109 CarbonylContact O-C 3.55Å; E97-I109 VanDerWaalsContact O-CA 3.28Å; E97-I109 WeakPolarHBondContact O-CA 3.43Å; E97-I109 WeakPolarHBondContact O-CB 3.33Å; A98-I109 HydrophobicContact CB-CG2 3.8Å; I107-I109 HydrophobicContact CG2-CG2 3.58Å; I109-V111 HydrophobicContact CD1-CG2 3.69Å; I109-V111 HydrophobicContact CG1-CG2 4.15Å; I109-I127 HydrophobicContact CD1-CD1 4.19Å
110K98.7Very high98Very high43 Ų4365 Ų6519%0.18734%0.341CS..EExtended strand (participates in β ladder)trans-115.4130.6168.8-172.6-176.2175.9-179.60109.4C70 F71 T96 E97C70-K110 WeakPolarHBondContact O-CA 3.44Å; F71-K110 HydrophobicContact CD1-CB 3.93Å; F71-K110 HydrophobicContact CD1-CG 4.17Å; F71-K110 HydrophobicContact CE1-CB 3.83Å; F71-K110 HydrophobicContact CE1-CD 3.92Å; F71-K110 HydrophobicContact CE1-CG 3.84Å; F71-K110 HydrophobicContact CZ-CD 4.09Å; F71-K110 HydrophobicContact CZ-CG 4.22Å; T96-K110 PolarHBondContact N-O 3.49Å; T96-K110 PolarHBondContact OG1-O 3.25Å; E97-K110 HydrophobicContact CB-CB 3.87Å; E97-K110 HydrophobicContact CG-CB 4.27Å; E97-K110 HydrophobicContact CG-CD 4.05Å; E97-K110 PolarHBondContact N-O 3.32Å; E97-K110 PolarHBondContact O-N 3.2Å; E97-K110 VanDerWaalsContact OE1-CD 3.22Å; E97-K110 WeakPolarHBondContact OE1-CD 3.2Å; E97-K110 IonicContact OE1-NZ 2.76Å; E97-K110 PolarHBondContact OE1-NZ 3.48Å
111V98.7Very high98Very high0 Ų061.4 Ų61.40%033%0.331CS..EExtended strand (participates in β ladder)trans-123.6137.5-178.2-179.80000110C70 I72 E94 V95 I109 V122 I127C70-V111 PolarHBondContact N-O 3.46Å; C70-V111 PolarHBondContact O-N 2.93Å; I72-V111 HydrophobicContact CD1-CB 4.27Å; I72-V111 HydrophobicContact CD1-CG2 3.7Å; E94-V111 HydrophobicContact CB-CG1 3.85Å; E94-V111 CarbonylContact O-C 3.57Å; E94-V111 VanDerWaalsContact O-CA 3.22Å; E94-V111 WeakPolarHBondContact O-CA 3.44Å; V95-V111 HydrophobicContact CG2-CG2 4.05Å; I109-V111 HydrophobicContact CD1-CG2 3.69Å; I109-V111 HydrophobicContact CG1-CG2 4.15Å; V111-V122 HydrophobicContact CG1-CG1 4.37Å; V111-I127 HydrophobicContact CG2-CD1 4.35Å
112M98.6Very high98.1Very high29 Ų2959.1 Ų59.114%0.14332%0.317CS..EExtended strand (participates in β ladder)trans-116.5120.5178.1-62.3-59.1-56.700110.4P61 Y66 E94 T96P61-M112 HydrophobicContact CB-CE 3.84Å; P61-M112 HydrophobicContact CG-CE 4.43Å; Y66-M112 HydrophobicContact CD1-CB 3.8Å; Y66-M112 HydrophobicContact CE1-CB 4.31Å; E94-M112 PolarHBondContact O-N 2.89Å; T96-M112 HydrophobicContact CG2-CB 4.14Å; T96-M112 HydrophobicContact CG2-CG 3.68Å
113C98.5Very high98.1Very high5 Ų553.5 Ų53.53%0.03428%0.281CS..EExtended strand (participates in β ladder)trans-129.3159.8179.7-67.20000111.5Y66 D67 V68 A118 L119Y66-C113 CarbonylContact C-O 3.54Å; Y66-C113 WeakPolarHBondContact CA-O 3.49Å; D67-C113 PolarHBondContact N-O 3.35Å; V68-C113 HydrophobicContact CB-CB 4.47Å; V68-C113 PolarHBondContact N-O 2.95Å; V68-C113 PolarHBondContact O-N 3.48Å; V68-C113 VanDerWaalsContact O-O 3.09Å; C113-A118 HydrophobicContact CB-CB 4.2Å; C113-L119 HydrophobicContact CB-CB 4.12Å
114R97.9Very high98.2Very high140 Ų14054.2 Ų54.253%0.52827%0.268SS..SBendtrans-79.7-28.8179.9-64.7-177.2174-79.2-3.5113.7L64 G65L64-R114 PolarHBondContact O-NH1 3.38Å; G65-R114 VanDerWaalsContact O-CA 3.29Å; G65-R114 WeakPolarHBondContact O-CA 3.28Å; G65-R114 WeakPolarHBondContact O-CB 3.27Å; G65-R114 WeakPolarHBondContact O-CG 3.09Å
115S98.3Very high98.3Very high49 Ų4950 Ų5034%0.34325%0.252SS..SBendtrans-154.1170.3-177.866.70000110.8V68 D117 A118 L119V68-S115 VanDerWaalsContact CG2-C 3.5Å; S115-D117 VanDerWaalsContact C-N 3.29Å; S115-A118 PolarHBondContact O-N 3.24Å; S115-A118 PolarHBondContact OG-N 3.1Å; S115-A118 VanDerWaalsContact OG-N 3.15Å; S115-L119 PolarHBondContact O-N 3.47Å
116I97.8Very high98.3Very high110 Ų11051.1 Ų51.156%0.56426%0.257SS*.Hα-helixtrans-63.7-38.5174.5-64.8176.5000110.3V68 A118 L119 Q120V68-I116 HydrophobicContact CG2-CG1 3.99Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 3.12Å; I116-L119 WeakPolarHBondContact O-CB 3.3Å; I116-L119 PolarHBondContact O-N 3.4Å; I116-Q120 WeakPolarHBondContact O-CB 3.34Å; I116-Q120 PolarHBondContact O-N 3.44Å
117D98.4Very high98.4Very high128 Ų12849.7 Ų49.768%0.68425%0.248SC*.Hα-helixtrans-60.7-42.5175.1-65.829.7000111.7S115 Q120 H121S115-D117 VanDerWaalsContact C-N 3.29Å; D117-Q120 PolarHBondContact O-N 3.46Å; D117-H121 PolarHBondContact O-N 3.23Å
118A98.4Very high98.3Very high34 Ų3454.2 Ų54.228%0.28127%0.269SS..Hα-helixtrans-64.1-42.9175.200000111.5C113 S115 I116 H121 V122C113-A118 HydrophobicContact CB-CB 4.2Å; S115-A118 PolarHBondContact O-N 3.24Å; S115-A118 PolarHBondContact OG-N 3.1Å; S115-A118 VanDerWaalsContact OG-N 3.15Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 3.12Å; A118-H121 PolarHBondContact O-N 3.37Å; A118-V122 VanDerWaalsContact O-CG2 3.3Å; A118-V122 WeakPolarHBondContact O-CG2 3.41Å; A118-V122 PolarHBondContact O-N 2.99Å
119L98.5Very high98.3Very high5 Ų556.4 Ų56.43%0.02629%0.286CS..Hα-helixtrans-60.8-45.4174.9172.361.4000111.6V68 C70 C113 S115 I116 H121 V122 L123 T138 I140V68-L119 HydrophobicContact CG1-CB 4.29Å; V68-L119 HydrophobicContact CG1-CD2 3.77Å; C70-L119 HydrophobicContact CB-CD2 4.48Å; C70-L119 VanDerWaalsContact SG-CD1 3.5Å; C113-L119 HydrophobicContact CB-CB 4.12Å; S115-L119 PolarHBondContact O-N 3.47Å; I116-L119 WeakPolarHBondContact O-CB 3.3Å; I116-L119 PolarHBondContact O-N 3.4Å; L119-H121 VanDerWaalsContact C-N 3.3Å; L119-H121 PolarHBondContact O-N 3.42Å; L119-V122 PolarHBondContact O-N 3.3Å; L119-L123 HydrophobicContact CD1-CD1 3.94Å; L119-L123 HydrophobicContact CD1-CG 4.02Å; L119-L123 HydrophobicContact CG-CD1 3.94Å; L119-L123 HydrophobicContact CG-CG 4.45Å; L119-L123 WeakPolarHBondContact O-CB 3.45Å; L119-L123 WeakPolarHBondContact O-CG 3.43Å; L119-L123 PolarHBondContact O-N 2.99Å; L119-T138 HydrophobicContact CD2-CG2 4.33Å; L119-I140 HydrophobicContact CD2-CD1 4.34Å; L119-I140 HydrophobicContact CD2-CG1 4.36Å
120Q98.3Very high98.3Very high92 Ų9257 Ų5743%0.4329%0.289SS..Hα-helixtrans-58.3-45.1177.3178.9-77-42.600110.8I116 D117 L123 I124I116-Q120 WeakPolarHBondContact O-CB 3.34Å; I116-Q120 PolarHBondContact O-N 3.44Å; D117-Q120 PolarHBondContact O-N 3.46Å; Q120-L123 PolarHBondContact O-N 3.4Å; Q120-I124 PolarHBondContact O-N 2.98Å
121H98.4Very high98.2Very high99 Ų9960.2 Ų60.246%0.45831%0.308SS..Hα-helixtrans-61.4-45.2177.5-179.684.5000111.9D117 A118 L119 N125D117-H121 PolarHBondContact O-N 3.23Å; A118-H121 PolarHBondContact O-N 3.37Å; L119-H121 VanDerWaalsContact C-N 3.3Å; L119-H121 PolarHBondContact O-N 3.42Å; H121-N125 PolarHBondContact CE1-ND2 3.46Å; H121-N125 PolarHBondContact ND1-ND2 3.46Å; H121-N125 VanDerWaalsContact O-CB 3.3Å; H121-N125 WeakPolarHBondContact O-CB 3.34Å; H121-N125 PolarHBondContact O-N 3.31Å; H121-N125 PolarHBondContact O-ND2 3.45Å; H121-N125 VanDerWaalsContact O-ND2 3.16Å
122V98.5Very high98.2Very high4 Ų461.2 Ų61.22%0.02431%0.313CS..Hα-helixtrans-62.2-46.8177.41710000110.8E94 V111 A118 L119 K126 I127E94-V122 HydrophobicContact CB-CG1 4.42Å; E94-V122 HydrophobicContact CB-CG2 4.48Å; E94-V122 HydrophobicContact CG-CG2 3.92Å; V111-V122 HydrophobicContact CG1-CG1 4.37Å; A118-V122 VanDerWaalsContact O-CG2 3.3Å; A118-V122 WeakPolarHBondContact O-CG2 3.41Å; A118-V122 PolarHBondContact O-N 2.99Å; L119-V122 PolarHBondContact O-N 3.3Å; V122-K126 HydrophobicContact CG1-CD 4.49Å; V122-K126 HydrophobicContact CG2-CD 4.31Å; V122-K126 WeakPolarHBondContact O-CA 3.29Å; V122-K126 VanDerWaalsContact O-CB 3.29Å; V122-K126 WeakPolarHBondContact O-CB 3.41Å; V122-K126 PolarHBondContact O-N 3.3Å; V122-I127 HydrophobicContact CG1-CD1 3.85Å; V122-I127 HydrophobicContact CG1-CG1 4.14Å; V122-I127 PolarHBondContact O-N 3.41Å
123L98.1Very high98.2Very high25 Ų2560.5 Ų60.513%0.13131%0.31CS..Iπ-helixtrans-58.9-55.3178.8-81.5169.8000111.8I72 L119 Q120 I127 Q128I72-L123 HydrophobicContact CD1-CD2 3.67Å; L119-L123 HydrophobicContact CD1-CD1 3.94Å; L119-L123 HydrophobicContact CD1-CG 4.02Å; L119-L123 HydrophobicContact CG-CD1 3.94Å; L119-L123 HydrophobicContact CG-CG 4.45Å; L119-L123 WeakPolarHBondContact O-CB 3.45Å; L119-L123 WeakPolarHBondContact O-CG 3.43Å; L119-L123 PolarHBondContact O-N 2.99Å; Q120-L123 PolarHBondContact O-N 3.4Å; L123-I127 HydrophobicContact CD2-CD1 4.33Å; L123-Q128 VanDerWaalsContact O-CB 3.26Å; L123-Q128 WeakPolarHBondContact O-CB 3.43Å; L123-Q128 VanDerWaalsContact O-CG 3.28Å; L123-Q128 WeakPolarHBondContact O-CG 3.49Å; L123-Q128 PolarHBondContact O-N 2.97Å
124I98.1Very high98.2Very high82 Ų8266.4 Ų66.442%0.42134%0.337SS..Iπ-helixtrans-73.2-43.1-173.1-62.5-159.6000111.9Q120 T129Q120-I124 PolarHBondContact O-N 2.98Å; I124-T129 WeakPolarHBondContact O-CG2 3.13Å
125N98.2Very high98.2Very high82 Ų8262 Ų6244%0.43933%0.327SS..Iπ-helixtrans-99-19.2-167.3-56.7-62000114H121 T129H121-N125 PolarHBondContact CE1-ND2 3.46Å; H121-N125 PolarHBondContact ND1-ND2 3.46Å; H121-N125 VanDerWaalsContact O-CB 3.3Å; H121-N125 WeakPolarHBondContact O-CB 3.34Å; H121-N125 PolarHBondContact O-N 3.31Å; H121-N125 PolarHBondContact O-ND2 3.45Å; H121-N125 VanDerWaalsContact O-ND2 3.16Å; N125-T129 WeakPolarHBondContact O-CG2 3.46Å; N125-T129 PolarHBondContact O-OG1 2.94Å
126K98.3Very high98.2Very high70 Ų7061 Ų6130%0.30432%0.32SS..Iπ-helixtrans-114.2-47.8-178.2-57.6-176.4168.4-168.80113.1L92 E94 V122 T129L92-K126 HydrophobicContact CD1-CB 4.03Å; L92-K126 HydrophobicContact CD2-CB 4.2Å; L92-K126 HydrophobicContact CD2-CD 4.27Å; E94-K126 VanDerWaalsContact CD-NZ 3.3Å; E94-K126 IonicContact OE1-NZ 3.01Å; E94-K126 PolarHBondContact OE1-NZ 3.2Å; E94-K126 IonicContact OE2-NZ 2.63Å; E94-K126 PolarHBondContact OE2-NZ 3.49Å; E94-K126 VanDerWaalsContact OE2-NZ 3.17Å; V122-K126 HydrophobicContact CG1-CD 4.49Å; V122-K126 HydrophobicContact CG2-CD 4.31Å; V122-K126 WeakPolarHBondContact O-CA 3.29Å; V122-K126 VanDerWaalsContact O-CB 3.29Å; V122-K126 WeakPolarHBondContact O-CB 3.41Å; V122-K126 PolarHBondContact O-N 3.3Å; K126-T129 PolarHBondContact O-OG1 3.3Å; K126-T129 VanDerWaalsContact O-OG1 3.11Å
127I98.3Very high98.3Very high0 Ų060.8 Ų60.80%032%0.316CS..Iπ-helixtrans-84-56.9-175.3-62.2175.4000110.4I72 L89 L92 I109 V111 V122 L123 T129 I130 I133 T136I72-I127 HydrophobicContact CD1-CD1 3.75Å; L89-I127 HydrophobicContact CD2-CG1 4.38Å; L89-I127 HydrophobicContact CD2-CG2 4.37Å; L92-I127 HydrophobicContact CD1-CG1 4Å; I109-I127 HydrophobicContact CD1-CD1 4.19Å; V111-I127 HydrophobicContact CG2-CD1 4.35Å; V122-I127 HydrophobicContact CG1-CD1 3.85Å; V122-I127 HydrophobicContact CG1-CG1 4.14Å; V122-I127 PolarHBondContact O-N 3.41Å; L123-I127 HydrophobicContact CD2-CD1 4.33Å; I127-T129 PolarHBondContact O-N 3.25Å; I127-T129 VanDerWaalsContact O-N 3.13Å; I127-I130 VanDerWaalsContact O-CB 3.26Å; I127-I130 WeakPolarHBondContact O-CB 3.5Å; I127-I130 WeakPolarHBondContact O-CG1 3.15Å; I127-I130 PolarHBondContact O-N 2.98Å; I127-I133 HydrophobicContact CG2-CD1 3.77Å; I127-I133 WeakPolarHBondContact O-CD1 3.45Å; I127-T136 HydrophobicContact CG2-CG2 4.01Å
128Q97.5Very high98.3Very high95 Ų9557 Ų5744%0.44430%0.297SS..THydrogen-bonded Turntrans-69.1-11.2-176.4-70.4-179-27.800114L123 I130 T136L123-Q128 VanDerWaalsContact O-CB 3.26Å; L123-Q128 WeakPolarHBondContact O-CB 3.43Å; L123-Q128 VanDerWaalsContact O-CG 3.28Å; L123-Q128 WeakPolarHBondContact O-CG 3.49Å; L123-Q128 PolarHBondContact O-N 2.97Å; Q128-I130 VanDerWaalsContact C-N 3.31Å; Q128-T136 HydrophobicContact CG-CG2 4.25Å; Q128-T136 PolarHBondContact NE2-OG1 3.2Å; Q128-T136 VanDerWaalsContact NE2-OG1 3.11Å
129T97.9Very high98.2Very high92 Ų9259.2 Ų59.256%0.56430%0.304SS*.THydrogen-bonded Turntrans-80.5-10.7171.450.90000113.3I124 N125 K126 I127 D131I124-T129 WeakPolarHBondContact O-CG2 3.13Å; N125-T129 WeakPolarHBondContact O-CG2 3.46Å; N125-T129 PolarHBondContact O-OG1 2.94Å; K126-T129 PolarHBondContact O-OG1 3.3Å; K126-T129 VanDerWaalsContact O-OG1 3.11Å; I127-T129 PolarHBondContact O-N 3.25Å; I127-T129 VanDerWaalsContact O-N 3.13Å; T129-D131 PolarHBondContact O-N 2.97Å
130I98.4Very high98.2Very high12 Ų1262.9 Ų62.96%0.06232%0.323CS..SBendtrans-68.6112.4173.3-64.3172.7000108.5A85 K88 L89 I127 Q128 E132 I133A85-I130 HydrophobicContact CB-CG2 4.48Å; K88-I130 HydrophobicContact CB-CD1 3.87Å; K88-I130 HydrophobicContact CB-CG1 4.08Å; K88-I130 HydrophobicContact CB-CG2 4.39Å; K88-I130 HydrophobicContact CD-CB 4.49Å; K88-I130 HydrophobicContact CD-CG1 4.34Å; K88-I130 HydrophobicContact CD-CG2 3.73Å; L89-I130 HydrophobicContact CD2-CD1 3.69Å; L89-I130 HydrophobicContact CG-CD1 3.9Å; I127-I130 VanDerWaalsContact O-CB 3.26Å; I127-I130 WeakPolarHBondContact O-CB 3.5Å; I127-I130 WeakPolarHBondContact O-CG1 3.15Å; I127-I130 PolarHBondContact O-N 2.98Å; Q128-I130 VanDerWaalsContact C-N 3.31Å; I130-E132 HydrophobicContact CG2-CB 4.3Å; I130-E132 WeakPolarHBondContact CG2-OE2 3.47Å; I130-E132 PolarHBondContact O-N 2.97Å; I130-E132 VanDerWaalsContact O-N 3.08Å; I130-I133 HydrophobicContact CB-CD1 3.86Å; I130-I133 HydrophobicContact CB-CG1 3.96Å; I130-I133 HydrophobicContact CD1-CD1 4.05Å; I130-I133 HydrophobicContact CG1-CD1 4.48Å; I130-I133 HydrophobicContact CG2-CD1 4.11Å; I130-I133 HydrophobicContact CG2-CG1 3.87Å; I130-I133 WeakPolarHBondContact O-CB 3.29Å; I130-I133 PolarHBondContact O-N 2.96Å
131D98Very high98.2Very high111 Ų11160.9 Ų60.959%0.59432%0.317SS*.THydrogen-bonded Turntrans-55.6-31.8-172.5-176.454000113.9K77 T129 I133K77-D131 VanDerWaalsContact CD-O 3.25Å; K77-D131 WeakPolarHBondContact CD-O 3.32Å; K77-D131 WeakPolarHBondContact CE-O 3.5Å; K77-D131 PolarHBondContact NZ-O 2.89Å; K77-D131 IonicContact NZ-OD1 3.04Å; K77-D131 PolarHBondContact NZ-OD1 2.99Å; T129-D131 PolarHBondContact O-N 2.97Å; D131-I133 PolarHBondContact O-N 3.48Å
132E98.5Very high98.2Very high21 Ų2164.2 Ų64.210%0.09834%0.337CS..THydrogen-bonded Turntrans-68.7-20.6178.9-65.286.1165.500113.5L76 K77 D81 S84 A85 K88 I130L76-E132 CarbonylContact C-O 3.48Å; L76-E132 VanDerWaalsContact CA-O 3.28Å; L76-E132 WeakPolarHBondContact CA-O 3.33Å; L76-E132 HydrophobicContact CD2-CB 4.13Å; L76-E132 WeakPolarHBondContact CD2-O 3.29Å; K77-E132 PolarHBondContact N-O 2.76Å; D81-E132 HydrophobicContact CB-CB 3.79Å; D81-E132 HydrophobicContact CB-CG 3.67Å; S84-E132 VanDerWaalsContact CB-OE1 3.29Å; S84-E132 WeakPolarHBondContact CB-OE1 3.36Å; S84-E132 WeakPolarHBondContact OG-CG 3.49Å; S84-E132 PolarHBondContact OG-OE1 3.01Å; A85-E132 HydrophobicContact CB-CB 3.87Å; A85-E132 HydrophobicContact CB-CG 4.35Å; K88-E132 IonicContact NZ-OE1 3.94Å; K88-E132 PolarHBondContact NZ-OE1 3.04Å; K88-E132 IonicContact NZ-OE2 2.85Å; K88-E132 PolarHBondContact NZ-OE2 2.85Å; I130-E132 HydrophobicContact CG2-CB 4.3Å; I130-E132 WeakPolarHBondContact CG2-OE2 3.47Å; I130-E132 PolarHBondContact O-N 2.97Å; I130-E132 VanDerWaalsContact O-N 3.08Å
133I98.4Very high98Very high15 Ų1571.5 Ų71.58%0.07737%0.371CS..EExtended strand (participates in β ladder)trans-81.3124.9-175.4-63.7-173.6000110.2I74 L76 I127 I130 D131 T136I74-I133 HydrophobicContact CD1-CD1 4.1Å; I74-I133 HydrophobicContact CG2-CB 4.45Å; I74-I133 HydrophobicContact CG2-CD1 3.76Å; I74-I133 HydrophobicContact CG2-CG1 3.73Å; I74-I133 HydrophobicContact CG2-CG2 4.11Å; L76-I133 HydrophobicContact CD2-CG1 3.88Å; I127-I133 HydrophobicContact CG2-CD1 3.77Å; I127-I133 WeakPolarHBondContact O-CD1 3.45Å; I130-I133 HydrophobicContact CB-CD1 3.86Å; I130-I133 HydrophobicContact CB-CG1 3.96Å; I130-I133 HydrophobicContact CD1-CD1 4.05Å; I130-I133 HydrophobicContact CG1-CD1 4.48Å; I130-I133 HydrophobicContact CG2-CD1 4.11Å; I130-I133 HydrophobicContact CG2-CG1 3.87Å; I130-I133 WeakPolarHBondContact O-CB 3.29Å; I130-I133 PolarHBondContact O-N 2.96Å; D131-I133 PolarHBondContact O-N 3.48Å; I133-T136 HydrophobicContact CG2-CG2 3.91Å
134Q98.3Very high97.9Very high129 Ų12974.4 Ų74.460%0.60339%0.387SS*.EExtended strand (participates in β ladder)trans-89.4-45.4173176.6178.7-39.700111.2I75 K77I75-Q134 WeakPolarHBondContact O-CB 3.47Å; I75-Q134 PolarHBondContact O-N 2.72Å; K77-Q134 HydrophobicContact CG-CB 4.02Å
135S98.3Very high97.8Very high46 Ų4675.3 Ų75.332%0.32240%0.398SS..EExtended strand (participates in β ladder)trans-157.3163.6178.961.10000112I75I75-S135 PolarHBondContact N-O 3.33Å; I75-S135 PolarHBondContact O-N 3.45Å; I75-S135 VanDerWaalsContact O-N 3.16Å
136T98.5Very high97.8Very high30 Ų3076.8 Ų76.818%0.18440%0.404CS..EExtended strand (participates in β ladder)trans-132.7137.6179.955.40000109.7I72 G73 I74 I127 Q128 I133I72-T136 HydrophobicContact CG2-CG2 4.19Å; G73-T136 CarbonylContact O-C 3.28Å; G73-T136 WeakPolarHBondContact O-CA 3.44Å; I74-T136 HydrophobicContact CG1-CG2 4.44Å; I127-T136 HydrophobicContact CG2-CG2 4.01Å; Q128-T136 HydrophobicContact CG-CG2 4.25Å; Q128-T136 PolarHBondContact NE2-OG1 3.2Å; Q128-T136 VanDerWaalsContact NE2-OG1 3.11Å; I133-T136 HydrophobicContact CG2-CG2 3.91Å
137E98.4Very high97.6Very high105 Ų10580.2 Ų80.249%0.49142%0.423SS..EExtended strand (participates in β ladder)trans-118.6118.8170.9-171.5174.6179.300109I72 G73 Y105 L139I72-E137 CarbonylContact C-O 3.58Å; I72-E137 VanDerWaalsContact CA-O 3.32Å; I72-E137 WeakPolarHBondContact CA-O 3.3Å; G73-E137 PolarHBondContact N-O 3.25Å; G73-E137 PolarHBondContact O-N 3.17Å; Y105-E137 HydrophobicContact CE1-CB 4.14Å; Y105-E137 WeakPolarHBondContact CE1-OE2 3.31Å; Y105-E137 PolarHBondContact OH-OE2 2.92Å; E137-L139 HydrophobicContact CG-CD1 4.48Å
138T98.3Very high97.4Very high47 Ų4790.3 Ų90.329%0.28846%0.461SS..EExtended strand (participates in β ladder)trans-106123.8-172.8-56.80000111.2C70 F71 I72 L119 I140C70-T138 HydrophobicContact CB-CG2 3.75Å; F71-T138 CarbonylContact O-C 3.44Å; F71-T138 WeakPolarHBondContact O-CA 3.21Å; I72-T138 HydrophobicContact CG1-CG2 4.02Å; L119-T138 HydrophobicContact CD2-CG2 4.33Å; T138-I140 HydrophobicContact CG2-CG1 4.24Å
139L98.4Very high97.2Very high81 Ų8190.7 Ų90.742%0.42447%0.47SS..EExtended strand (participates in β ladder)trans-106.2102.7175.8-66.181.4000108.8C70 F71 E137C70-L139 CarbonylContact C-O 3.5Å; C70-L139 VanDerWaalsContact CA-O 3.28Å; C70-L139 WeakPolarHBondContact CA-O 3.32Å; C70-L139 WeakPolarHBondContact CB-O 3.44Å; F71-L139 HydrophobicContact CB-CB 4.44Å; F71-L139 PolarHBondContact N-O 3.13Å; F71-L139 PolarHBondContact O-N 3Å; E137-L139 HydrophobicContact CG-CD1 4.48Å
140I98.3Very high97.1Very high83 Ų8392.6 Ų92.643%0.42648%0.476SS..EExtended strand (participates in β ladder)trans-76.3131.7-179.2-60.8177.6000110.2C70 L119 T138 L142C70-I140 HydrophobicContact CB-CG1 4.4Å; L119-I140 HydrophobicContact CD2-CD1 4.34Å; L119-I140 HydrophobicContact CD2-CG1 4.36Å; T138-I140 HydrophobicContact CG2-CG1 4.24Å; I140-L142 HydrophobicContact CG2-CD2 4.38Å; I140-L142 PolarHBondContact O-N 2.79Å
141V98Very high96.9Very high50 Ų50101 Ų10130%0.30351%0.512SS..  trans-78.9105175.4-179.80000109.1G69 F71 N144G69-V141 VanDerWaalsContact O-CB 3.31Å; G69-V141 WeakPolarHBondContact O-CB 3.38Å; G69-V141 PolarHBondContact O-N 3.14Å; F71-V141 HydrophobicContact CD2-CG2 4.05Å; F71-V141 HydrophobicContact CE2-CG2 3.94Å; V141-N144 HydrophobicContact CG1-CB 4.07Å
142L97.2Very high96.5Very high168 Ų16899 Ų9988%0.8851%0.505SS*.SBendtrans-77.5-34174.9-59.4-179000112.2I140I140-L142 HydrophobicContact CG2-CD2 4.38Å; I140-L142 PolarHBondContact O-N 2.79Å
143Q95.9Very high96.4Very high157 Ų157103 Ų10373%0.73453%0.525SS*.  trans-150.3138.5176.5-165.3-179.730.800109.9P145Q143-P145 WeakPolarHBondContact O-CD 3.22Å
144N95.1Very high96.3Very high87 Ų87107.6 Ų107.647%0.46555%0.549SS..  trans-116.980173-177.316.6000110V141 I146V141-N144 HydrophobicContact CG1-CB 4.07Å; N144-I146 PolarHBondContact OD1-O 3Å
145P96.5Very high96.2Very high100 Ų100106.4 Ų106.465%0.64955%0.546SS*.  trans-77.6-21.8-173.130.4-35.4000113.8Q143Q143-P145 WeakPolarHBondContact O-CD 3.22Å
146I97.2Very high96Very high113 Ų113109.9 Ų109.958%0.57956%0.559SS**  trans-131.2113.3-177.3-58.2176.7000108.9N144 R148N144-I146 PolarHBondContact OD1-O 3Å; I146-R148 HydrophobicContact CG2-CG 4.39Å
147M95.1Very high95.9Very high142 Ų142114.9 Ų114.970%0.758%0.583SS**  trans-139.4109.8172-178.2169.849.300107.6
148R93.8Very high95.7Very high212 Ų212115.6 Ų115.680%0.859%0.589SS**  trans-151.2159.2-177.764.5-175.3177.5-150-1.3110I146I146-R148 HydrophobicContact CG2-CG 4.39Å
149T94Very high95.5Very high103 Ų103120.5 Ų120.563%0.63261%0.61SS**  trans-85174.3174.7-170.30000112.2M18M18-T149 HydrophobicContact CE-CG2 3.37Å
150I95.5Very high95.3Very high132 Ų132123.5 Ų123.568%0.67763%0.625SS**  trans-66.7163.8173.362.3170.4000111.4M18M18-I150 VanDerWaalsContact CE-O 3.27Å; M18-I150 WeakPolarHBondContact CE-O 3.29Å
151K93.3Very high95.1Very high189 Ų189126.9 Ų126.982%0.82264%0.641SS**  trans-111.7114.1169.1-67.2-175.3176.5-167.70108.3
152P89.4Confident94.8Very high70 Ų70133.9 Ų133.946%0.45567%0.672SS.*  trans-72.80-175.930.7-35000114R11 L14 M18R11-P152 WeakPolarHBondContact CD-OXT 3.31Å; R11-P152 PolarHBondContact NE-OXT 2.76Å; L14-P152 HydrophobicContact CB-CG 3.84Å; L14-P152 HydrophobicContact CD1-CB 4Å; L14-P152 HydrophobicContact CD1-CG 4.14Å; M18-P152 HydrophobicContact SD-CG 4.09Å

Retrieved 152 of 152 residues in 118.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).